Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.40 |
| ▸ | RELA | Q04206 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 4-Mercaptopyridine SCHEMBL7795235 | 1.00 | CYP2D6 (0.44) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| 4-Mercaptopyridine SCHEMBL7790653 | 0.96 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| 4-Mercaptopyridine SCHEMBL7793759 | 0.91 | CYP2D6 (0.48) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| 2-Mercaptopyridine SCHEMBL7795199 | 0.84 | CYP19A1 (0.51) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL7784900 | 0.80 | CYP1A2 (0.59) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9676963 | 0.80 | CYP1A2 (0.59) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| 2-Mercaptopyridine SCHEMBL7793904 | 0.79 | CYP1A2 (0.50) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| 2-Mercaptopyridine SCHEMBL7790803 | 0.79 | CYP1A2 (0.50) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| Hydrochloric Acid SCHEMBL9679292 | 0.78 | CYP1A2 (0.57) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL15223392 | 0.77 | TSHR (0.53) | CYP2D6CYP1A2CYP2C9CYP2C19CYP19A1 |
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-1155025-A1 | PLATINUM (II) COMPOUNDS | ISIS INNOVATION LIMITED (GB) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000050431-A1 | PLATINUM (II) COMPOUNDS | ISIS INNOVATION LIMITED (GB) | 2000-08-31 | — | — | WO | disclosed |