Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2158489 | 0.87 | PSIP1 (0.43) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL7913584 | 0.79 | HSD17B10 (0.47) | — | |
| Acetic Acid SCHEMBL28094250 | 0.78 | HSD17B10 (0.46) | — | |
| SCHEMBL28181882 | 0.78 | CA12 (0.68) | PTGS2DRD1CA12CA1CA2 | |
| SCHEMBL2158703 | 0.78 | PTGS2 (0.54) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL10897509 | 0.76 | PRKAA2 (0.46) | — | |
| SCHEMBL7229909 | 0.76 | CYP1A2 (0.51) | — | |
| SCHEMBL5723494 | 0.74 | PTGS2 (0.65) | PTGS2DRD1 | |
| Acetic Acid SCHEMBL28094251 | 0.73 | MEN1 (0.47) | — | |
| Phenol SCHEMBL28221008 | 0.73 | KDM4E (0.47) | CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1692101-B1 | MERCAPTO-PHENYL-NAPHTHYL-METHANE DERIVATIVES AND PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2011-07-06 | — | — | EP | claimed |