Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 8/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5541462 | 0.79 | HSD11B1 (0.55) | HSD11B1S1PR1TRPA1TRPM8TRPV1 | |
| SCHEMBL197671 | 0.78 | HSD11B1 (0.56) | HSD11B1TRPA1TRPM8TRPV1CYP3A4 | |
| SCHEMBL8022901 | 0.76 | HSD11B1 (0.54) | HSD11B1TRPA1TRPM8TRPV1CYP3A4 | |
| Hydrochloric Acid SCHEMBL29010139 | 0.76 | HSD11B1 (0.54) | HSD11B1TRPA1TRPM8TRPV1CYP3A4 | |
| SCHEMBL13263234 | 0.74 | CYP2A6 (0.64) | CYP2A6CYP2B6S1PR1CYP3A4CYP2C19 | |
| SCHEMBL132142 | 0.72 | CYP2A6 (0.33) | CYP2A6CYP2B6S1PR1CYP3A4CYP2C19 | |
| SCHEMBL10343225 | 0.72 | TRPA1 (0.51) | HSD11B1S1PR1TRPA1TRPM8TRPV1 | |
| SCHEMBL13147201 | 0.72 | TRPA1 (0.51) | HSD11B1S1PR1TRPA1TRPM8TRPV1 | |
| SCHEMBL13350024 | 0.72 | CYP2A6 (0.46) | CYP2A6CYP2B6S1PR1CYP3A4CYP2C19 | |
| SCHEMBL612401 | 0.72 | CYP2A6 (0.46) | CYP2A6CYP2B6S1PR1CYP3A4CYP2C19 |
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-104478821-B | Oxadiazole diaryl compounds | 默克雪兰诺有限公司 | 2016-09-28 | — | — | CN | disclosed |