Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29994105 | 0.81 | CA12 (0.44) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL7422130 | 0.76 | ABL1 (0.43) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL16406661 | 0.74 | ALDH1A1 (0.44) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL7422808 | 0.74 | TPMT (0.47) | CA12CA1CA2CA9PPARA | |
| SCHEMBL10417158 | 0.73 | TRPA1 (0.46) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL7421204 | 0.73 | GLRA1 (0.44) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL26355870 | 0.73 | TSHR (0.49) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL7424659 | 0.72 | PPARA (0.42) | CA12CA1CA2CA9TRPA1 | |
| Acetaldehyde SCHEMBL27747589 | 0.71 | CA12 (0.54) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL7419776 | 0.71 | CNR2 (0.46) | PPARAPPARG |
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-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |