Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14569468 | 0.79 | CYP2D6 (0.31) | MAPK1TDP1CYP3A4TSHRCYP1A2 | |
| SCHEMBL2497578 | 0.72 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL275807 | 0.70 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL11231604 | 0.69 | MAPK1 (0.48) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL543138 | 0.69 | MAPK1 (0.48) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL29561757 | 0.68 | ALDH1A1 (0.38) | TDP1TSHR | |
| SCHEMBL30632049 | 0.68 | ADRA2A (0.47) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL672098 | 0.68 | ADRA2A (0.47) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL9629684 | 0.68 | CA1 (0.34) | CA1CA2 | |
| SCHEMBL15876269 | 0.67 | CA1 (0.35) | CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116829542-A | Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient | 韩国化学研究院 | 2023-09-29 | — | — | CN | disclosed |
| CN-107849816-B | Method for treating paperboard and paper media and related treated paperboard and paper media | 巴斯夫欧洲公司 | 2021-07-09 | — | — | CN | disclosed |
| EP-2519500-A1 | INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE | Piramal Healthcare Ltd. (IN) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011080718-A1 | INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2011-07-07 | — | — | WO | disclosed |