Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.68 |
| ▸ | IDO1 | P14902 | 6/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.68 |
| ▸ | USP2 | O75604 | 3/20 | 0.68 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.68 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.68 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.68 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.68 |
| ▸ | DRD3 | P35462 | 3/20 | 0.68 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL11635130 | 0.94 | CYP3A4 (0.78) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11631617 | 0.90 | IDO1 (0.69) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11634798 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11699442 | 0.88 | CYP2C9 (0.87) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11632167 | 0.84 | IDO1 (0.70) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11637065 | 0.84 | IDO1 (0.70) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11748335 | 0.84 | CYP2C9 (0.57) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11637188 | 0.84 | CYP3A4 (0.53) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11753700 | 0.83 | CYP2C9 (0.56) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11635545 | 0.82 | CYP19A1 (0.52) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4078071-A | FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS | SYNTEX (U.S.A.) INC. (US) | 1978-03-07 | — | — | US | disclosed |