Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL28329702 | 0.85 | SMN1; SMN2 (0.56) | CA12CA9CA1CA2RECQL | |
| SCHEMBL3818649 | 0.84 | GAA (0.56) | CA12CA9CA1CA2HTT | |
| SCHEMBL338046 | 0.84 | GAA (0.56) | CA12CA9CA1CA2HTT | |
| Chlorobenzene SCHEMBL3023979 | 0.84 | ALDH1A1 (0.47) | CA12CA9CA1CA2RECQL | |
| Potassium SCHEMBL367653 | 0.82 | GAA (0.54) | CA12CA9CA1CA2HTT | |
| Propane SCHEMBL3021103 | 0.79 | GAA (0.50) | CA12CA9CA1CA2SMN1; SMN2 | |
| SCHEMBL6603175 | 0.77 | CA2 (0.53) | CA12CA9CA1CA2RECQL | |
| Thiocyanic Acid SCHEMBL8512493 | 0.76 | GAA (0.43) | CA12CA9CA1CA2SMN1; SMN2 | |
| SCHEMBL588340 | 0.76 | SMN1; SMN2 (0.62) | CA12CA9CA1CA2SMN1; SMN2 | |
| SCHEMBL18817569 | 0.76 | SMN1; SMN2 (0.62) | CA12CA9CA1CA2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5932731-A | HYDROLYZING A HETEROAROMATIC HALOGENATED METHYL SULFIDE IN PRESENCE OF AN ACID | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |