Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL5290689 | 0.85 | ALDH1A1 (0.36) | ALDH1A1 | |
| Benzyl Alcohol SCHEMBL28818098 | 0.81 | TSHR (0.47) | TDP1ALDH1A1 | |
| SCHEMBL20166 | 0.77 | — | — | |
| Phenol SCHEMBL28289458 | 0.76 | CA12 (0.39) | CA12CA1CA2GLACA3 | |
| SCHEMBL28351202 | 0.76 | TRPA1 (0.42) | CYP3A4 | |
| SCHEMBL10796668 | 0.75 | — | — | |
| SCHEMBL25397065 | 0.75 | — | — | |
| SCHEMBL1079925 | 0.75 | — | — | |
| SCHEMBL3022013 | 0.75 | — | — | |
| SCHEMBL16079493 | 0.75 | — | — |
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-107254052-B | Release agent, preparation method thereof, composite release agent and polyurethane resin material | 山东益丰生化环保股份有限公司 | 2020-09-11 | — | — | CN | disclosed |