Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 5/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | THPO | P40225 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
| ▸ | CA3 | P07451 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | TYR | P14679 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Benzoquinone SCHEMBL27735859 | 0.84 | KDM4E (0.48) | ALOX15HIF1AKDM4ECYP3A4ALDH1A1 | |
| Hydroquinone SCHEMBL3818593 | 0.84 | LMNA (0.56) | ALOX15HIF1AKDM4ECYP3A4ALDH1A1 | |
| SCHEMBL950885 | 0.77 | TAAR1 (0.62) | ALOX15HIF1AKDM4ECYP3A4ALDH1A1 | |
| Resorcinol SCHEMBL28638850 | 0.77 | CYP3A4 (0.63) | ALOX15HIF1AKDM4ECYP3A4ALDH1A1 | |
| SCHEMBL7895108 | 0.77 | TAAR1 (0.62) | ALOX15HIF1AKDM4ECYP3A4ALDH1A1 | |
| SCHEMBL6120164 | 0.76 | ESR1 (0.39) | CYP3A4ALDH1A1LMNAESR1ESR2 | |
| Hydroquinone SCHEMBL10547720 | 0.74 | ALDH1A1 (0.67) | ALOX15HIF1AKDM4ECYP3A4ALDH1A1 | |
| SCHEMBL1268287 | 0.73 | ESR1 (0.48) | ALOX15HIF1AKDM4ECYP3A4ALDH1A1 | |
| SCHEMBL8931393 | 0.73 | TAAR1 (0.62) | CYP3A4ALDH1A1CA2MEN1KMT2A | |
| Hydroquinone SCHEMBL218793 | 0.73 | HIF1A (0.44) | ALOX15HIF1AKDM4ECYP3A4ALDH1A1 |
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-104284918-B | urethane type and urea ester type compound and preparation method thereof | 高剑萍 | 2017-03-29 | — | — | CN | disclosed |