Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 4/20 | 0.40 |
| ▸ | MMP3 | P08254 | 4/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | UTRN | P46939 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2159769 | 0.87 | PTGS2 (0.53) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL2159827 | 0.80 | L3MBTL1 (0.45) | PSIP1CA12CA1CA2CA9 | |
| SCHEMBL7913584 | 0.78 | HSD17B10 (0.47) | KDM4ECYP1A2GAA | |
| Acetic Acid SCHEMBL28094250 | 0.77 | HSD17B10 (0.46) | KDM4ECYP1A2GAA | |
| SCHEMBL10897509 | 0.75 | PRKAA2 (0.46) | KDM4ECYP1A2CSNK1DGAA | |
| SCHEMBL7229909 | 0.75 | CYP1A2 (0.51) | KDM4ECYP1A2 | |
| SCHEMBL13049712 | 0.72 | PTGS2 (0.45) | PSIP1CA12CA1CA2CA9 | |
| Acetic Acid SCHEMBL28094251 | 0.72 | MEN1 (0.47) | KDM4ECYP1A2 | |
| Phenol SCHEMBL28221008 | 0.72 | KDM4E (0.47) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL21409622 | 0.71 | HSD17B10 (0.44) | KDM4ECYP1A2CSNK2A1GAA |
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 |