Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | STAT6 | P42226 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.42 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7014519 | 0.87 | HSD17B10 (0.45) | ESR2VCAM1TRPA1ALDH1A1CYP1A2 | |
| SCHEMBL7018615 | 0.87 | TDP1 (0.58) | ESR2VCAM1TRPA1ALDH1A1CYP3A4 | |
| SCHEMBL2652739 | 0.87 | ALDH1A1 (0.45) | ESR2VCAM1TRPA1ALDH1A1CYP1A2 | |
| SCHEMBL7835151 | 0.87 | CES2 (0.47) | ESR2VCAM1TRPA1ALDH1A1CYP1A2 | |
| SCHEMBL27737266 | 0.83 | VCAM1 (0.54) | ESR2VCAM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29021111 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C9 | |
| SCHEMBL7022740 | 0.79 | HTT (0.61) | ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C19 | |
| SCHEMBL7433163 | 0.79 | ESR2 (0.56) | ESR2VCAM1ALDH1A1MAPK1PTPN5 | |
| SCHEMBL10337977 | 0.78 | ALDH1A1 (0.53) | ESR2VCAM1ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL27939312 | 0.78 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP3A4HSD17B10CYP2C9 |
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-101573335-A | Kinase inhibitors | TAKEDA SAN DIEGO INC (JP) | 2009-11-04 | — | — | CN | disclosed |