Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 3/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5575017 | 0.92 | CNR2 (0.42) | CYP3A4ALDH1A1CYP19A1MAPTTDP1 | |
| SCHEMBL13424144 | 0.89 | ESR1 (0.53) | CYP3A4ALOX15HIF1AALDH1A1CA3 | |
| SCHEMBL6976203 | 0.82 | HDAC3 (0.48) | ALDH1A1MAPTTDP1GFERCNR1 | |
| SCHEMBL28860941 | 0.82 | ACHE (0.54) | CYP3A4ALOX15ALDH1A1ESR1ESR2 | |
| SCHEMBL6754777 | 0.82 | CNR1 (0.51) | ALDH1A1HSD17B10ESR1ESR2PDCD1 | |
| SCHEMBL10791649 | 0.81 | ALDH1A1 (0.52) | CYP3A4ALDH1A1MAPTTDP1GAA | |
| SCHEMBL28839218 | 0.81 | MAPT (0.43) | CYP3A4ALDH1A1CYP19A1MAPTCNR1 | |
| SCHEMBL28845037 | 0.80 | PTGS1 (0.39) | CYP3A4HIF1AALDH1A1CASP1MAPT | |
| 4-Aminophenol SCHEMBL27782121 | 0.80 | ALDH1A1 (0.72) | THRBCYP3A4ALOX15HIF1AALDH1A1 | |
| SCHEMBL28226395 | 0.80 | HDAC3 (0.50) | CYP3A4ALOX15ESR1ESR2APP |
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-105272930-B | Substituted urea derivative and its application in drug | 广东东阳光药业有限公司 | 2018-07-13 | — | — | CN | disclosed |