Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.49 |
| ▸ | FABP1 | P07148 | 1/20 | 0.47 |
| ▸ | FABP6 | P51161 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.47 |
| ▸ | ITGAV | P06756 | 2/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.47 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.45 |
| ▸ | DRD3 | P35462 | 3/20 | 0.45 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23081588 | 0.95 | CYP2C19 (0.54) | CYP2C19KDM4EALDH1A1ALOX12CYP1A2 | |
| SCHEMBL317566 | 0.89 | ALDH1A1 (0.60) | CYP2C19KDM4EALDH1A1ALOX12CYP1A2 | |
| SCHEMBL10861718 | 0.83 | CYP1A2 (0.66) | CYP2C19KDM4EALDH1A1CYP1A2CXCR4 | |
| SCHEMBL18233631 | 0.81 | CYP2C19 (0.54) | CYP2C19KDM4EALDH1A1ALOX12CYP1A2 | |
| SCHEMBL9644591 | 0.81 | CYP1A2 (0.63) | CYP2C19KDM4EALDH1A1ALOX12CYP1A2 | |
| SCHEMBL10858528 | 0.81 | CYP1A2 (0.63) | CYP2C19KDM4EALDH1A1ALOX12CYP1A2 | |
| SCHEMBL2158846 | 0.80 | CYP2C19 (0.61) | CYP2C19KDM4EALDH1A1ALOX12CYP1A2 | |
| SCHEMBL30496433 | 0.80 | CYP2C19 (0.61) | CYP2C19KDM4EALDH1A1ALOX12CYP1A2 | |
| SCHEMBL28657675 | 0.79 | CYP2C19 (0.56) | CYP2C19KDM4EALDH1A1ALOX12CYP1A2 | |
| SCHEMBL3265804 | 0.79 | CYP1A2 (0.70) | CYP2C19KDM4EALDH1A1CYP1A2CXCR4 |
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-0977743-A1 | PROTEASE INHIBITORS | Smithkline Beecham (US) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998049152-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-05 | — | — | WO | disclosed |