Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.38 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8664291 | 0.86 | TRPV4 (0.38) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL8664249 | 0.84 | TRPV4 (0.39) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL16122585 | 0.83 | ALDH1A1 (0.36) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL8727200 | 0.82 | TRPV4 (0.38) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL8045190 | 0.80 | ALDH1A1 (0.37) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL8049906 | 0.80 | TRPV4 (0.41) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL9447114 | 0.78 | TRPV4 (0.35) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL10558774 | 0.78 | KHK (0.41) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL23925359 | 0.77 | KHK (0.42) | TRPV4KHKCYP11B2MAPK1ALDH1A1 | |
| SCHEMBL7768183 | 0.76 | TRPV4 (0.36) | TRPV4KHKCYP11B2MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6613948-B1 | Reacting the corresponding chlorobenzene or (chloro, fluoro)-benzene derivatives with potassium fluoride in solvent; distillation; tetrachloro benzotrifluoride, -benzoyl fluoride, or -benzonitrile as starting materials | BAYER AG (DE) | 2003-09-02 | — | — | US | disclosed |