Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | RARB | P10826 | 4/20 | 0.50 |
| ▸ | RARA | P10276 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774674 | 0.99 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8774459 | 0.99 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8774691 | 0.96 | CYP2D6 (0.54) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8774455 | 0.96 | CYP2D6 (0.54) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8774212 | 0.90 | CYP2D6 (0.46) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8774900 | 0.90 | CYP2D6 (0.46) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8108654 | 0.87 | RARB (0.49) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8112752 | 0.87 | CYP2D6 (0.50) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8112496 | 0.87 | CYP2D6 (0.50) | CYP2D6CYP3A4RARBRARAKDM4E | |
| SCHEMBL8774987 | 0.83 | CHRNA7 (0.49) | KDM4EALDH1A1CYP19A1NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |