Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | TERT | O14746 | 2/20 | 0.38 |
| ▸ | BRS3 | P32247 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL999538 | 0.82 | CYP19A1 (0.51) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL8695286 | 0.79 | CYP2D6 (0.60) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL21984930 | 0.76 | CYP2D6 (0.55) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL14129889 | 0.75 | CYP2D6 (1.00) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL11541937 | 0.73 | CYP2D6 (0.60) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL9777426 | 0.73 | CYP2D6 (0.63) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL8957199 | 0.72 | CYP2D6 (0.91) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL1109087 | 0.71 | CYP2D6 (0.56) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL31140236 | 0.71 | CYP2D6 (0.56) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL31140242 | 0.71 | CYP2D6 (0.61) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998004260-A1 | SUBSTITUTED BIPHENYL SULFONAMIDE ENDOTHELIN ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-02-05 | — | — | WO | disclosed |