Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3975855 | 0.98 | ESR1 (0.44) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL8575102 | 0.85 | PDCD1 (0.37) | ESR1ESR2TRPA1ATMTP53 | |
| Ammonia Solution, Strong SCHEMBL9169935 | 0.78 | PON1 (0.31) | CYP1A2CYP2A6TSHR | |
| Ammonia Solution, Strong SCHEMBL4439587 | 0.78 | GABRA1 (0.48) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL395673 | 0.78 | ESR1 (0.44) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL6547407 | 0.77 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL30231281 | 0.77 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL3306785 | 0.77 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL31083860 | 0.77 | — | — | |
| SCHEMBL1422357 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004026352-A1 | USE AS BINDER OF ION TRIGGERABLE, VINYL-BASED CATIONIC POLYMERS | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2004-04-01 | — | — | WO | claimed |