Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.31 |
| ▸ | CA1 | P00915 | 4/20 | 0.31 |
| ▸ | CA9 | Q16790 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19783250 | 1.00 | TRPA1 (0.34) | TRPA1CA12CA1CA9KDM4E | |
| SCHEMBL28963817 | 0.77 | TRPA1 (0.35) | TRPA1KDM4EALDH1A1LMNACYP3A4 | |
| SCHEMBL30189920 | 0.77 | CA12 (0.30) | CA12CA1CA9 | |
| SCHEMBL19782557 | 0.77 | CA12 (0.30) | CA12CA1CA9 | |
| SCHEMBL29678611 | 0.74 | CA12 (0.33) | TRPA1CA12CA1CA9KDM4E | |
| SCHEMBL19783181 | 0.74 | CA12 (0.38) | TRPA1CA12CA1CA9KDM4E | |
| SCHEMBL15068207 | 0.68 | CA12 (0.41) | CA12CA1CA9CYP3A4 | |
| SCHEMBL19782489 | 0.67 | CA12 (0.40) | CA12CA1CA9CYP3A4 | |
| SCHEMBL15209309 | 0.63 | APLNR (0.38) | CA12CA1CA9 | |
| SCHEMBL1056366 | 0.62 | ALOX5AP (0.36) | TRPA1CA12CA1CA9 |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |