Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11810480 | 0.89 | POLB (0.47) | PPARASMN1; SMN2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11635945 | 0.87 | TSHR (0.54) | SMN1; SMN2CYP1A2CYP2C9KDM4EALDH1A1 | |
| SCHEMBL11809480 | 0.84 | LMNA (0.41) | PPARASMN1; SMN2CYP2C19GAATSHR | |
| SCHEMBL11715575 | 0.83 | SMN1; SMN2 (0.47) | PPARASMN1; SMN2CYP1A2CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL11710846 | 0.82 | SMN1; SMN2 (0.46) | PPARASMN1; SMN2CYP1A2CYP2C19CYP2C9 | |
| Iodide SCHEMBL11711599 | 0.81 | SMN1; SMN2 (0.45) | PPARASMN1; SMN2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11513556 | 0.81 | KDM4E (0.52) | PPARASMN1; SMN2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11708863 | 0.81 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP2C19CYP2C9KDM4E | |
| Valconazole SCHEMBL1258175 | 0.80 | CYP3A4 (0.59) | SMN1; SMN2CYP2C9LMNAMAPK1CYP3A4 | |
| SCHEMBL11511837 | 0.79 | SMN1; SMN2 (0.51) | PPARASMN1; SMN2CYP1A2CYP2C19CYP2C9 |
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-4472421-A | SHAMPOO | BAYER AKTIENGESELLSCHAFT (DE) | 1984-09-18 | — | — | US | disclosed |