Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15925468 | 0.96 | AR (0.44) | ARALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15925455 | 0.87 | AR (0.52) | ARALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15925474 | 0.84 | SMN1; SMN2 (0.49) | ARALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15925464 | 0.83 | SMN1; SMN2 (0.50) | ARALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10288410 | 0.83 | PIK3CD (0.50) | ALDH1A1CYP3A4TRPV1 | |
| SCHEMBL15925487 | 0.83 | CETP (0.48) | ARALDH1A1CYP1A2HPGDPPARG | |
| SCHEMBL15925466 | 0.82 | CETP (0.49) | ARALDH1A1CYP1A2HPGDPPARG | |
| SCHEMBL15925461 | 0.81 | ALOX15 (0.52) | ARALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15925460 | 0.81 | AR (0.51) | ARALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10298717 | 0.81 | ALDH1A1 (0.47) | ARALDH1A1CYP1A2CYP3A4CYP2C9 |
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-8796268-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |