Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26128508 | 1.00 | TRPA1 (0.48) | TRPA1TSHRHRH1LMNAHTR2A | |
| SCHEMBL6827761 | 1.00 | TRPA1 (0.48) | TRPA1TSHRHRH1LMNAHTR2A | |
| Furan SCHEMBL27927516 | 0.88 | TRPA1 (0.41) | TRPA1TSHRHRH1LMNAHTR2A | |
| SCHEMBL11865749 | 0.86 | TSHR (0.42) | TRPA1TSHRHRH1LMNAHTR2A | |
| SCHEMBL22042229 | 0.85 | TSHR (0.55) | TSHRHRH1HTR2ATAAR1 | |
| SCHEMBL8779726 | 0.80 | TSHR (0.50) | TRPA1TSHRLMNAHTR2ATAAR1 | |
| SCHEMBL22042223 | 0.80 | TSHR (0.50) | TSHRHRH1HTR2ATAAR1 | |
| SCHEMBL8779745 | 0.80 | TSHR (0.50) | TRPA1TSHRLMNAHTR2ATAAR1 | |
| SCHEMBL1146364 | 0.80 | TSHR (0.50) | TRPA1TSHRLMNAHTR2ATAAR1 | |
| SCHEMBL651743 | 0.79 | TSHR (0.44) | TSHRLMNATDP1CYP2C19SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117568296-A | P450 hydroxylase mutant and synthetic R-halohydrin thereof | 遵义医科大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-110937984-B | Dapoxetine hydrochloride related substance, preparation method and application thereof | 苏州科伦药物研究有限公司 | 2022-05-03 | — | — | CN | disclosed |
| CN-110937984-A | Dapoxetine hydrochloride related substance, preparation method and application thereof | 苏州科伦药物研究有限公司 | 2020-03-31 | — | — | CN | disclosed |
| WO-2001066534-A2 | CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2001-09-13 | — | — | WO | disclosed |