Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.39 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9908237 | 0.84 | CA12 (0.56) | SLC6A4SLC6A3PTGS2CYP1A2CA12 | |
| SCHEMBL2647486 | 0.84 | ALDH1A1 (0.44) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL9513577 | 0.82 | ABL1 (0.48) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL11331364 | 0.82 | MEN1 (0.43) | CA12CA1CA2CA9LMNA | |
| SCHEMBL3854616 | 0.82 | ALDH1A1 (0.43) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL3398674 | 0.81 | SLC6A3 (0.44) | SLC6A3CA12CA1CA2CA9 | |
| SCHEMBL16409728 | 0.81 | SLC6A4 (0.45) | SLC6A4SLC6A3PTGS2CA12CA1 | |
| SCHEMBL16731883 | 0.81 | SLC6A4 (0.45) | SLC6A4SLC6A3PTGS2CA12CA1 | |
| SCHEMBL31376568 | 0.79 | CYP1A2 (0.40) | SLC6A4SLC6A3PTGS2CYP1A2PTGS1 | |
| SCHEMBL5907397 | 0.79 | GABRA1 (0.44) | CYP1A2CA1CA2PTGS1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817031-B1 | CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY | MERCK PATENT GMBH (DE) | 2014-05-21 | — | — | EP | claimed |
| EP-1817031-B1 | CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY | MERCK PATENT GMBH (DE) | 2014-05-21 | — | — | EP | disclosed |
| WO-2009094457-A2 | SUBSTITUTED BENZHYDRYLETHERS | AUSPEX PHARMACEUTICALS (US) | 2009-07-30 | — | — | WO | disclosed |