Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | DDO | Q99489 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5252029 | 0.78 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL20356033 | 0.77 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL5252035 | 0.74 | ACHE (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7305545 | 0.71 | CES2 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL20356037 | 0.71 | DAO (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL30366470 | 0.71 | DAO (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL20356032 | 0.68 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL7300314 | 0.68 | CES2 (0.33) | CES2CES1ARNPC1HPGD | |
| SCHEMBL331592 | 0.67 | — | — | |
| SCHEMBL14197895 | 0.67 | HPRT1 (0.39) | HPRT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |