Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.86 |
| ▸ | ACHE | P22303 | 2/20 | 0.65 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Metacresol SCHEMBL11435519 | 0.96 | CYP2C19 (0.86) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| Metacresol SCHEMBL636353 | 0.96 | CYP2C19 (0.86) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| P-Cresol SCHEMBL5555586 | 0.95 | CYP1A2 (0.97) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| Metacresol SCHEMBL9847885 | 0.95 | CYP2C19 (0.78) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| Metacresol SCHEMBL6348111 | 0.94 | CYP2C19 (0.83) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| P-Cresol SCHEMBL15200860 | 0.93 | CYP1A2 (0.93) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| P-Cresol SCHEMBL29404960 | 0.93 | CYP2C19 (1.00) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| P-Cresol SCHEMBL6243247 | 0.93 | CYP2C19 (1.00) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| P-Cresol SCHEMBL31006310 | 0.93 | CYP2C19 (1.00) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 | |
| Metacresol SCHEMBL5333179 | 0.92 | CYP2C19 (0.80) | CYP2C19CYP1A2ACHEHSD17B1HSD17B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2814342-A2 | AEROSOL-GENERATING ARTICLE HAVING AN AEROSOL-COOLING ELEMENT | Philip Morris Products S.a.s. (CH) | 2014-12-24 | — | — | EP | disclosed |
| WO-2013120565-A2 | AEROSOL-GENERATING ARTICLE HAVING AN AEROSOL-COOLING ELEMENT | PHILIP MORRIS PRODUCTS S.A. (CH) | 2013-08-22 | — | — | WO | disclosed |
| US-20050233930-A1 | Disinfectant cleaning compositions | RECKITT BENCKISER INC. (US) | 2005-10-20 | — | — | US | disclosed |