Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 6/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 3/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6562398 | 0.79 | KMO (0.54) | KMOAKR1C3AKR1C2SCN9AFABP4 | |
| SCHEMBL27897141 | 0.77 | RORB (0.45) | ARPGRDHODHSCN9A | |
| SCHEMBL2367672 | 0.77 | BACE1 (0.58) | AKR1C3AKR1C2BACE1 | |
| SCHEMBL8060130 | 0.75 | SLC6A4 (0.50) | — | |
| SCHEMBL1041026 | 0.72 | ESR2 (0.52) | KMOAR | |
| SCHEMBL236823 | 0.72 | FABP3 (0.53) | — | |
| SCHEMBL667777 | 0.72 | PPARG (0.51) | MCL1 | |
| SCHEMBL2286083 | 0.72 | SLC6A2 (0.53) | AKR1C3AKR1C2 | |
| SCHEMBL1639323 | 0.72 | FABP3 (0.56) | — | |
| SCHEMBL30563023 | 0.72 | FABP3 (0.56) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1223158-B1 | Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles | BAYER CHEMICALS AG (DE) | 2004-08-11 | — | — | EP | disclosed |
| EP-1223158-A1 | Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles | Bayer Aktiengesellschaft (DE) | 2002-07-17 | — | — | EP | disclosed |