Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16350574 | 0.81 | ALDH1A1 (0.81) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| SCHEMBL362773 | 0.81 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| SCHEMBL5485685 | 0.79 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| SCHEMBL6160109 | 0.79 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| SCHEMBL3305715 | 0.79 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| SCHEMBL1656857 | 0.78 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| N,N-Diallyl-2-Chloroacetamide SCHEMBL4886939 | 0.77 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| N,N-Diallyl-2-Chloroacetamide SCHEMBL53540 | 0.77 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| SCHEMBL8068413 | 0.77 | ALDH1A1 (0.91) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 | |
| SCHEMBL9816041 | 0.77 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBKDM4EMEN1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050065118-A1 | Organosulfur inhibitors of tyrosine phosphatases | METABASIS THERAPEUTICS, INC. | 2005-03-24 | — | — | US | claimed |
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | claimed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | claimed |
| EP-0901373-A4 | Alpha v Beta 3 ANTAGONISTS | MERCK & CO INC (US) | 1999-07-07 | — | — | EP | claimed |
| EP-0901373-A1 | Alpha v Beta 3 ANTAGONISTS | Merck & Co., Inc. (US) | 1999-03-17 | — | — | EP | claimed |
| EP-0888351-A1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-01-07 | — | — | EP | claimed |
| WO-1997037655-A1 | αvβ3 ANTAGONISTS | MERCK & CO., INC. (US) | 1997-10-16 | — | — | WO | claimed |
| WO-1997032880-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | claimed |
| US-20050065118-A1 | Organosulfur inhibitors of tyrosine phosphatases | METABASIS THERAPEUTICS, INC. | 2005-03-24 | — | — | US | disclosed |
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |
| US-6221907-B1 | Tricyclic compounds having activity specific for integrins, particularly alphanubeta3 integrins, method for preparing same, intermediates therefor, use of said compounds as drugs, and pharmaceutical compositions containing same | HOECHST MARION ROUSSEL (FR) | 2001-04-24 | — | — | US | disclosed |
| EP-0901373-A4 | Alpha v Beta 3 ANTAGONISTS | MERCK & CO INC (US) | 1999-07-07 | — | — | EP | disclosed |
| EP-0901373-A1 | Alpha v Beta 3 ANTAGONISTS | Merck & Co., Inc. (US) | 1999-03-17 | — | — | EP | disclosed |
| EP-0888351-A1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997037655-A1 | αvβ3 ANTAGONISTS | MERCK & CO., INC. (US) | 1997-10-16 | — | — | WO | disclosed |
| WO-1997032880-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | 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 (1 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-20050065118-A1 | Organosulfur inhibitors of tyrosine phosphatases | PTPRS, PTPRJ, PTPRCAP | ALDH1A1 961/4885SMN1; SMN2 2211/4885POLB 3621/4885 |
“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.