Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | DBH | P09172 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4887074 | 0.81 | HTT (0.51) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL12614496 | 0.81 | IDO1 (0.48) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL11368438 | 0.80 | HTT (0.55) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14656662 | 0.77 | HTT (0.65) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5544243 | 0.75 | ALDH1A1 (0.55) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18500548 | 0.74 | IDO1 (0.54) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL249746 | 0.74 | IDO1 (0.54) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8223381 | 0.74 | IDO1 (0.54) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31323976 | 0.74 | IDO1 (0.54) | IDO1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL30956678 | 0.74 | IDO1 (0.54) | IDO1HTTCYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006115845-A1 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO., INC. (US) | 2006-11-02 | — | — | WO | disclosed |