Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | ATM | Q13315 | 1/20 | 0.66 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.57 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | VCP | P55072 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9149832 | 1.00 | CYP3A4 (0.66) | CYP3A4ATMCYP19A1TRPM8ALDH1A1 | |
| SCHEMBL2056144 | 0.89 | KDM4E (0.54) | CYP3A4ATMCYP19A1TRPM8ALDH1A1 | |
| SCHEMBL11011121 | 0.86 | CYP3A4 (0.62) | CYP3A4ATMCYP19A1TRPM8ALDH1A1 | |
| SCHEMBL11011119 | 0.86 | CYP3A4 (0.62) | CYP3A4ATMCYP19A1TRPM8ALDH1A1 | |
| SCHEMBL2360927 | 0.83 | CYP3A4 (0.46) | CYP3A4ATMCYP19A1TRPM8ALDH1A1 | |
| SCHEMBL406395 | 0.83 | ALDH1A1 (0.66) | CYP3A4ATMCYP19A1TRPM8ALDH1A1 | |
| SCHEMBL19472000 | 0.82 | CYP19A1 (0.78) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| SCHEMBL19500874 | 0.82 | CYP19A1 (0.78) | CYP3A4ATMCYP19A1ALDH1A1HSD17B10 | |
| SCHEMBL2005021 | 0.82 | CYP3A4 (0.61) | CYP3A4ATMCYP19A1TRPM8ALDH1A1 | |
| SCHEMBL22187024 | 0.82 | CYP3A4 (0.61) | CYP3A4ATMCYP19A1TRPM8ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160304485-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-10-20 | — | — | US | disclosed |
| WO-2012028578-A1 | SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | WO | disclosed |
| US-20110166141-A1 | CATHEPSIN S INHIBITORS | DCB-USA, LLC (US) | 2011-07-07 | — | — | US | disclosed |
| US-7169786-B2 | Isoxazoline derivatives as anti-depressants | JANSSEN-CILAG S.A. (ES) | 2007-01-30 | — | — | US | disclosed |
| US-7169786-B2 | Isoxazoline derivatives as anti-depressants | JANSSEN-CILAG S.A. (ES) | 2007-01-30 | — | — | US | disclosed |
| US-5475024-A | Useful in treating liver disease | EISAI CO., LTD. (JP) | 1995-12-12 | — | — | US | disclosed |
| US-5292901-A | Benzodioxole derivatives | EISAI CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| EP-0281098-B1 | BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS | Eisai Co., Ltd. (JP) | 1992-11-25 | — | — | EP | disclosed |
| US-5110956-A | Liver disorders | EISAI CO., LTD. (JP) | 1992-05-05 | — | — | US | disclosed |
| EP-0281098-A1 | Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments | Eisai Co., Ltd. (JP) | 1988-09-07 | — | — | EP | 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 (2 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-20160304485-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | MCL1, BCL2L1, BCL2L11 | CYP3A4 4502/4885ATM 2469/4885CYP19A1 4389/4885 |
| US-20110166141-A1 | CATHEPSIN S INHIBITORS | CTSS, CTSV, CTSB | CYP3A4 2657/4885ATM 4418/4885CYP19A1 1643/4885 |
“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.