Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | 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 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | RAC1 | P63000 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9612994 | 0.87 | ENPP1 (0.38) | ALDH1A1CYP3A4HPGDSMN1; SMN2ENPP1 | |
| SCHEMBL9612997 | 0.83 | COMT (0.39) | ALDH1A1CYP3A4HPGDSMN1; SMN2CYP11B1 | |
| SCHEMBL10032784 | 0.83 | CCR1 (0.43) | CTRCALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10032752 | 0.82 | CYP3A4 (0.40) | CTRCALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10017052 | 0.82 | CYP17A1 (0.40) | ALDH1A1SMN1; SMN2PIM1CYP11B1CYP11B2 | |
| SCHEMBL26567152 | 0.81 | CTRC (0.50) | CTRCALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19170433 | 0.81 | CYP11B1 (0.42) | ALDH1A1CYP1A2CYP2C9HPGDSMN1; SMN2 | |
| SCHEMBL9613086 | 0.81 | ENPP1 (0.41) | ALDH1A1HPGDENPP1ENPP3CYP11B1 | |
| SCHEMBL9613154 | 0.81 | CYP11B1 (0.38) | CYP1A2SMN1; SMN2CYP11B1CYP11B2MAOB | |
| SCHEMBL12436956 | 0.80 | CYP1A1 (0.42) | ALDH1A1CYP1A2CYP2C9HPGDPIM1 |
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-2012070535-A1 | ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-31 | — | — | WO | disclosed |