Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL702050 | 0.79 | TDP1 (0.46) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL5104173 | 0.78 | TDP1 (0.44) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL29808710 | 0.78 | TDP1 (0.44) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL10813948 | 0.78 | CA1 (0.60) | CA1CA2CA9STS | |
| SCHEMBL7133728 | 0.77 | CYP3A4 (0.44) | MAPK1TDP1CYP3A4TRPA1TSHR | |
| SCHEMBL23447 | 0.75 | HTR3E (0.53) | MAPK1TDP1CA1CA2CA9 | |
| SCHEMBL29541540 | 0.75 | HTR3E (0.53) | MAPK1TDP1CA1CA2CA9 | |
| SCHEMBL62179 | 0.74 | AKR1C3 (0.46) | MAPK1TDP1TSHR | |
| SCHEMBL11296127 | 0.74 | TDP1 (0.44) | MAPK1TDP1CA1CA2CA9 | |
| SCHEMBL27464310 | 0.73 | MAPK1 (0.41) | MAPK1TDP1CYP3A4TRPA1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4325887-A | Isocyanatoaryl sulfonic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-20 | — | — | US | disclosed |
| US-4259255-A | ISOCYANATOARYL SULFONATES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-03-31 | — | — | US | disclosed |