Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.37 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.37 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4464552 | 0.85 | MAPT (0.50) | CA12CA9CYP3A4KDM4EMAPT | |
| SCHEMBL18839343 | 0.79 | CYP19A1 (0.38) | CYP3A4KDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL25348410 | 0.74 | MAPT (0.46) | CYP3A4KDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL146383 | 0.74 | CYP3A4 (0.44) | CYP3A4KDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL29152962 | 0.73 | CYP19A1 (0.38) | CYP3A4KDM4EMAPTKMT2AALDH1A1 | |
| Benzoquinone SCHEMBL27411699 | 0.73 | CYP3A4 (0.38) | CA12CA9CYP3A4KDM4EMAPT | |
| SCHEMBL29586567 | 0.72 | CYP3A4 (0.43) | CYP3A4KDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL29190842 | 0.72 | CYP3A4 (0.43) | CYP3A4KDM4EMAPTKMT2AALDH1A1 | |
| Fluoride SCHEMBL28071548 | 0.72 | CYP3A4 (0.43) | CYP3A4KDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL31358268 | 0.72 | CYP3A4 (0.43) | CYP3A4KDM4EMAPTKMT2AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6806267-B1 | ANTITUMOUR AGENTS; OVERCOMING CHRONIC MYELOID LEUKEMIA ASSOCIATED DRUG RESISTANCE; SUCH AS 4-ACETOXY-5-PHENYL-NAPHTO(2,3-B)PYRROLO(1,2-D)(1,4)OXAZEPINE | THE UNIVERSITA'DI SIENA (IT) | 2004-10-19 | — | — | US | disclosed |
| WO-1999056736-A2 | APOPTOSIS-INDUCING COMPOUNDS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 1999-11-11 | — | — | WO | disclosed |
| US-4436662-A | SEDATIVES, TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1984-03-13 | — | — | US | disclosed |