Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13664693 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL13665270 | 0.79 | UBE2M (0.38) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL13664808 | 0.77 | BACE1 (0.43) | ALDH1A1MRGPRX4HPGDUSP2SMN1; SMN2 | |
| SCHEMBL1542592 | 0.72 | MRGPRX4 (0.67) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL13664806 | 0.70 | CA2 (0.40) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL13664889 | 0.68 | ALDH1A1 (0.42) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL29764499 | 0.67 | BCHE (0.59) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6675829 | 0.67 | BCHE (0.59) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL613010 | 0.66 | ALDH1A1 (0.60) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL11605746 | 0.65 | CYP1A2 (0.75) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2D6 |
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-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |