Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL42458 | 0.83 | ALDH1A1 (0.56) | CYP1A2CYP3A4ALDH1A1CYP2C19HIF1A | |
| SCHEMBL517462 | 0.82 | SMN1; SMN2 (0.57) | CYP1A2CYP3A4RECQLALDH1A1CYP2C19 | |
| SCHEMBL28246706 | 0.80 | HIF1A (0.55) | CYP1A2CYP3A4RECQLALDH1A1CYP2C19 | |
| SCHEMBL28727407 | 0.80 | SMN1; SMN2 (0.55) | CYP1A2CYP3A4RECQLALDH1A1CYP2C19 | |
| SCHEMBL8459554 | 0.76 | ALDH1A1 (0.44) | CYP1A2CYP3A4RECQLALDH1A1CYP2C19 | |
| SCHEMBL9189250 | 0.76 | ALDH1A1 (0.47) | CYP1A2CYP3A4RECQLALDH1A1CYP2C19 | |
| SCHEMBL2878828 | 0.76 | PPARG (0.56) | CYP1A2CYP3A4RECQLALDH1A1CYP2C19 | |
| SCHEMBL111212 | 0.75 | ALDH1A1 (0.50) | CYP1A2CYP3A4RECQLALDH1A1CYP2C19 | |
| Phosphine SCHEMBL6248436 | 0.74 | ALDH1A1 (0.46) | CYP1A2CYP3A4RECQLALDH1A1CYP2C19 | |
| SCHEMBL305335 | 0.74 | ALDH1A1 (0.39) | CYP1A2CYP3A4ALDH1A1CYP2C19HIF1A |
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-115701977-A | Composition for treating hair or fiber comprising alkylketene compound | 株式会社LG生活健康 | 2023-02-14 | — | — | CN | disclosed |