Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21692173 | 0.84 | ATM (0.62) | ATMCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL722248 | 0.84 | ATM (0.62) | ATMCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL16405704 | 0.82 | CYP2A6 (0.83) | ATMCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL29500136 | 0.82 | CYP2A6 (0.83) | ATMCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL141605 | 0.82 | CYP2A6 (0.83) | ATMCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| Biphenyl SCHEMBL28338714 | 0.82 | CYP2A6 (0.83) | ATMCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| Benzene SCHEMBL27934930 | 0.80 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP3A4CYP1A2SMN1; SMN2 | |
| SCHEMBL31124557 | 0.80 | CYP2A6 (0.79) | ATMCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL12076750 | 0.80 | MKNK1 (0.57) | ATMALDH1A1NOTUMMKNK1MKNK2 | |
| SCHEMBL32679826 | 0.80 | CYP2A6 (0.79) | ATMCYP2A6ALDH1A1CYP3A4CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007139499-A1 | COMPOUNDS FOR USE AS A MEDICAMENT | APREA AB (SE) | 2007-12-06 | — | — | WO | disclosed |
| US-5602167-A | 4-arylcyclohepta[c] pyrrole analgesics | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-02-11 | — | — | US | disclosed |
| WO-1996036604-A1 | 4-ARYLCYCLOHEPTA[c]PYRROLE ANALGESICS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-11-21 | — | — | WO | disclosed |
| US-5523412-A | AN UNSUBSTITUTED OR N-ALKYL- OR CYCLOALKYL-SUBSTITUTED PERHYDROCYCLOHEPTA(C)PYRROL-4-ONE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-06-04 | — | — | US | disclosed |