Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 5/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 2/20 | 0.42 |
| ▸ | RARA | P10276 | 1/20 | 0.42 |
| ▸ | RARG | P13631 | 1/20 | 0.42 |
| ▸ | RPA1 | P27694 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11693510 | 0.80 | AKR1C2 (0.52) | SLC1A3SLC1A2SLC1A1AKR1C2AKR1C1 | |
| SCHEMBL2771168 | 0.76 | KDM4E (0.52) | DCLRE1BMCL1 | |
| SCHEMBL12603776 | 0.75 | SCN9A (0.42) | SCN9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL12603775 | 0.75 | AHR (0.50) | SCN9ALMNA | |
| SCHEMBL14072811 | 0.74 | LMNA (0.43) | LMNARARBRARARARGMCL1 | |
| SCHEMBL458111 | 0.73 | ESR2 (0.52) | AKR1C2AKR1C1DCLRE1B | |
| SCHEMBL3062072 | 0.73 | BCL2L1 (0.55) | AKR1C2AKR1C1LMNAFABP4MCL1 | |
| SCHEMBL121427 | 0.73 | ACMSD (0.63) | AKR1C2AKR1C1DCLRE1BMCL1 | |
| SCHEMBL31028186 | 0.73 | ACMSD (0.63) | AKR1C2AKR1C1DCLRE1BMCL1 | |
| SCHEMBL5419835 | 0.73 | FABP4 (0.47) | AKR1C2AKR1C1MRGPRX4FABP4FABP5 |
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-2411365-B1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | disclosed |