Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | F10 | P00742 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2872090 | 0.84 | CYP1A2 (0.54) | CYP2C9CYP1A2CYP2D6ALDH1A1F10 | |
| SCHEMBL6140774 | 0.81 | KMT2A (0.43) | CYP2C9CYP1A2CYP2D6ALDH1A1F10 | |
| SCHEMBL7107873 | 0.81 | CCNA2 (0.54) | CYP2C9CYP1A2CYP2D6ALDH1A1F10 | |
| SCHEMBL2836991 | 0.80 | CYP1A2 (0.58) | CYP2C9CYP1A2CYP2D6ALDH1A1F10 | |
| SCHEMBL27409503 | 0.77 | ALDH1A1 (0.59) | CYP2C9CYP1A2CYP2D6ALDH1A1TSHR | |
| SCHEMBL76559 | 0.77 | ALDH1A1 (0.59) | CYP2C9CYP1A2CYP2D6ALDH1A1TSHR | |
| SCHEMBL5164714 | 0.77 | F10 (0.57) | CYP2C9CYP1A2CYP2D6ALDH1A1F10 | |
| SCHEMBL5165210 | 0.77 | F10 (0.57) | CYP2C9CYP1A2CYP2D6ALDH1A1F10 | |
| SCHEMBL6788185 | 0.76 | ALDH1A1 (0.56) | CYP2C9CYP1A2CYP2D6ALDH1A1HPGD | |
| SCHEMBL1626841 | 0.76 | ALDH1A1 (0.58) | CYP2C9CYP1A2CYP2D6ALDH1A1TSHR |
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-1351938-A1 | PHENYL DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-10-15 | — | — | EP | claimed |
| WO-2002057236-A1 | PHENYL DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-07-25 | — | — | WO | claimed |