Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2587178 | 1.00 | IDO1 (0.61) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16382293 | 0.85 | IDO1 (0.73) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL31408101 | 0.85 | IDO1 (0.73) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17361199 | 0.85 | CYP3A4 (0.54) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28832456 | 0.82 | CYP3A4 (0.51) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28084075 | 0.82 | CYP3A4 (0.53) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30538057 | 0.81 | CYP3A4 (0.41) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8469809 | 0.79 | IDO1 (0.66) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28287055 | 0.79 | IDO1 (0.66) | IDO1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28484926 | 0.78 | IDO1 (0.63) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114773314-A | Biarylaminoguanidine derivative | 上海拓界生物医药科技有限公司 | 2022-07-22 | — | — | CN | disclosed |