Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CD38 | P28907 | 3/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8335380 | 0.78 | IDO1 (0.47) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13447861 | 0.78 | CYP19A1 (0.41) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28793996 | 0.77 | IDO1 (0.61) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13997437 | 0.76 | CYP3A4 (0.44) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13242920 | 0.76 | IDO1 (0.66) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14121261 | 0.75 | CYP11B1 (0.60) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21859850 | 0.75 | CYP3A4 (0.46) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21725508 | 0.75 | CYP17A1 (0.40) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6342110 | 0.75 | CYP3A4 (0.45) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3284515 | 0.72 | IDO1 (0.53) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101360752-B | Hiv integrase inhibitors | BRISTOL MYERS SQUIBB CO | 2012-09-05 | — | — | CN | disclosed |
| CN-101360752-A | HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-02-04 | — | — | CN | disclosed |