Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.36 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.36 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11336504 | 0.86 | CYP2D6 (0.45) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL9739386 | 0.79 | CYP2C19 (0.43) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL5683553 | 0.74 | CYP2A6 (0.54) | CYP2C19CYP3A4CYP2A6CYP2C9CYP1A2 | |
| SCHEMBL161389 | 0.71 | KDM4E (0.42) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL232442 | 0.70 | HTR2C (0.44) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL5008100 | 0.69 | CYP1A2 (0.51) | CYP2C19CYP3A4KDM4ECYP2A6CYP2C9 | |
| SCHEMBL6614937 | 0.68 | KDM4E (0.44) | CYP2D6CYP2C19CYP3A4KDM4EMEN1 | |
| SCHEMBL8320757 | 0.68 | CYP2D6 (0.57) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL5811739 | 0.67 | DRD2 (0.42) | CYP2D6CYP2C19CYP3A4TSHRKDM4E | |
| SCHEMBL19831767 | 0.67 | CHRNB2 (0.37) | CYP2D6CYP2C19CYP3A4TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5981541-A | ACRIDINE DERIVATIVES; ANTICANCER AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0950054-A1 | SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998012181-A1 | SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1998-03-26 | — | — | WO | disclosed |
| US-4267178-A | AS ANTIHYPERTENSIVE AGENTS | SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MED. (FR) | 1981-05-12 | — | — | US | disclosed |