Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4201940 | 1.00 | TPMT (0.42) | TPMTCA1CA2GSK3BSLC22A2 | |
| SCHEMBL11814265 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL10045039 | 0.77 | MEN1 (0.50) | CA1CA2 | |
| SCHEMBL436983 | 0.77 | TSHR (0.50) | CA1CA2GSK3B | |
| SCHEMBL436984 | 0.77 | TSHR (0.50) | CA1CA2GSK3B | |
| SCHEMBL4039683 | 0.77 | TSHR (0.50) | CA1CA2GSK3B | |
| SCHEMBL936431 | 0.75 | CES2 (0.44) | CA1CA2GSK3BSLC22A2SLC22A1 | |
| SCHEMBL8249574 | 0.75 | ALDH1A1 (0.44) | GSK3B | |
| SCHEMBL505979 | 0.75 | ALDH1A1 (0.44) | GSK3B | |
| SCHEMBL11814257 | 0.75 | ALDH1A1 (0.45) | CA1CA2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10252997-B2 | Monocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-04-09 | — | — | US | disclosed |
| US-20180079723-A1 | MONOCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-22 | — | — | US | disclosed |
| EP-3279183-A1 | MONOCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-07 | — | — | EP | disclosed |
| EP-2909202-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2015-08-26 | — | — | EP | disclosed |
| US-8912198-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-12-16 | — | — | US | disclosed |
| WO-2014062604-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-24 | — | — | WO | disclosed |
| US-20140107093-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-17 | — | — | US | disclosed |
| US-20130041000-A1 | NOVEL AZOLE COMPOUND | AJINOMOTO CO., INC. (JP) | 2013-02-14 | — | — | US | disclosed |
| US-20090170911-A1 | NOVEL AZOLE COMPOUND | AJINOMOTO CO. INC (JP) | 2009-07-02 | — | — | US | disclosed |
| US-7517996-B2 | Azole compound | AJINOMOTO CO., INC. (JP) | 2009-04-14 | — | — | US | disclosed |
| US-20060194850-A1 | Novel azole compound | AJINOMOTO CO. INC (JP) | 2006-08-31 | — | — | US | 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-20140107093-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | TPMT 1781/4885CA1 3618/4885CA2 1638/4885 |
| US-20090170911-A1 | NOVEL AZOLE COMPOUND | LPAR1, LPAR2, LPAR3 | TPMT 3385/4885CA1 2436/4885CA2 1252/4885 |
| US-10252997-B2 | Monocyclic compound | FABP1, CPT1A, GOT2 | TPMT 619/4885CA1 4048/4885CA2 4310/4885 |
| US-20180079723-A1 | MONOCYCLIC COMPOUND | FABP1, CPT1A, GOT2 | TPMT 619/4885CA1 4048/4885CA2 4310/4885 |
| US-20130041000-A1 | NOVEL AZOLE COMPOUND | LPAR1, LPAR2, LPAR3 | TPMT 3385/4885CA1 2436/4885CA2 1252/4885 |
| US-20060194850-A1 | Novel azole compound | LPAR1, LPAR2, LPAR3 | TPMT 3385/4885CA1 2436/4885CA2 1252/4885 |
“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.