Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3730337 | 0.82 | SMN1; SMN2 (0.53) | CES1CES2AKR1B1SMN1; SMN2HIF1A | |
| SCHEMBL8578371 | 0.79 | SMN1; SMN2 (0.50) | CES1CES2AKR1B1SMN1; SMN2HIF1A | |
| SCHEMBL8578380 | 0.79 | SMN1; SMN2 (0.50) | CES1CES2AKR1B1SMN1; SMN2HIF1A | |
| SCHEMBL2034745 | 0.78 | SMN1; SMN2 (0.44) | CES1CES2AKR1B1PTPN1SMN1; SMN2 | |
| SCHEMBL11553607 | 0.77 | EPHX2 (0.47) | CES1CES2MEN1KMT2AALDH1A1 | |
| SCHEMBL11445320 | 0.76 | CES1 (0.61) | CES1CES2AKR1B1CYP2C9PAM | |
| SCHEMBL419615 | 0.76 | SMN1; SMN2 (0.59) | CES1CES2AKR1B1SMN1; SMN2HIF1A | |
| SCHEMBL8695907 | 0.73 | CES1 (0.57) | CES1CES2AKR1B1PTPN1SMN1; SMN2 | |
| SCHEMBL4957230 | 0.72 | CES1 (0.61) | CES1CES2AKR1B1PTPN1SMN1; SMN2 | |
| SCHEMBL7558091 | 0.72 | CES1 (0.61) | CES1CES2AKR1B1CYP2C9PAM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088768-B2 | Protein kinase and phosphatase inhibitors | THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) | 2012-01-03 | — | — | US | disclosed |
| US-20110136807-A1 | Bicyclic compositions and methods for modulating a kinase cascade | KINEX PHARMACEUTICALS, LLC (US) | 2011-06-09 | — | — | US | disclosed |
| US-7901894-B2 | Kinase inhibitors | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2011-03-08 | — | — | US | disclosed |
| US-20110028474-A1 | PROTEIN KINASE AND PHOSPHATASE INHIBITORS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2011-02-03 | — | — | US | disclosed |
| EP-1147214-B1 | A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS | UNIV NEW YORK STATE RES FOUND (US) | 2011-01-05 | — | — | EP | disclosed |
| US-7838542-B2 | Bicyclic compositions and methods for modulating a kinase cascade | KINEX PHARMACEUTICALS, LLC (US) | 2010-11-23 | — | — | US | disclosed |
| US-7772216-B2 | Protein kinase and phosphatase inhibitors and methods for designing them | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2010-08-10 | — | — | US | disclosed |
| EP-2038254-A2 | BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE | Kinex Pharmaceuticals, LLC (US) | 2009-03-25 | — | — | EP | disclosed |
| US-20080004241-A1 | 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides | OAKTREE FUND ADMINISTRATION, LLC | 2008-01-03 | — | — | US | disclosed |
| WO-2008002674-A2 | BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE | KINEX PHARMACEUTICALS, LLC (US) | 2008-01-03 | — | — | WO | disclosed |
| US-7070936-B1 | Method for designing protein kinase inhibitors | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2006-07-04 | — | — | US | disclosed |
| US-20060089401-A1 | Kinase inhibitors | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK | 2006-04-27 | — | — | US | disclosed |
| US-7005445-B2 | Protein kinase and phosphatase inhibitors and methods for designing them | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2006-02-28 | — | — | US | disclosed |
| US-20060030544-A1 | Protein kinase and phosphatase inhibitors and methods for designing them | RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE | 2006-02-09 | — | — | US | disclosed |
| EP-1444204-A1 | PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2004-08-11 | — | — | EP | disclosed |
| US-20030166615-A1 | Protein kinase and phosphatase inhibitors and methods for designing them | RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE | 2003-09-04 | — | — | US | disclosed |
| WO-2003035621-A1 | PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2003-05-01 | — | — | WO | disclosed |
| EP-1147214-A1 | A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000042213-A1 | A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2000-07-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110028474-A1 | PROTEIN KINASE AND PHOSPHATASE INHIBITORS | PTPN5, PTPN2, PTPN4 | CES1 1455/4885CES2 2543/4885AKR1B1 1988/4885 |
| US-20060030544-A1 | Protein kinase and phosphatase inhibitors and methods for designing them | PTPN5, PTPN2, PTPN6 | CES1 1558/4885CES2 2929/4885AKR1B1 1999/4885 |
| US-20060089401-A1 | Kinase inhibitors | MAP3K5, MAP3K20, MAP4K5 | CES1 2488/4885CES2 4123/4885AKR1B1 2763/4885 |
| US-20080004241-A1 | 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides | PTK2B, GRK2, FRK | CES1 2283/4885CES2 2698/4885AKR1B1 2453/4885 |
| US-20110136807-A1 | Bicyclic compositions and methods for modulating a kinase cascade | MAP3K20, MAP3K6, MAP3K2 | CES1 3065/4885CES2 2559/4885AKR1B1 3148/4885 |
| US-20030166615-A1 | Protein kinase and phosphatase inhibitors and methods for designing them | PTPN5, PTPN2, PTPN6 | CES1 1558/4885CES2 2929/4885AKR1B1 1999/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.