Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 10/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2457908 | 0.83 | KIF11 (0.44) | CYP2C9CYP2D6KIF11CYP3A4CYP2C19 | |
| SCHEMBL7272215 | 0.82 | KIF11 (0.43) | CYP2C9CYP2D6KIF11CYP3A4CYP2C19 | |
| SCHEMBL1015538 | 0.80 | KIF11 (0.39) | CYP2C9CYP2D6KIF11NFKB1ERN1 | |
| SCHEMBL6723976 | 0.80 | ALDH1A1 (0.43) | CYP2C9CYP2D6KIF11 | |
| SCHEMBL6723791 | 0.80 | KIF11 (0.39) | CYP2C9CYP2D6KIF11NFKB1CTSS | |
| SCHEMBL23121413 | 0.80 | KIF11 (0.42) | CYP2C9CYP2D6KIF11CYP3A4CYP2C19 | |
| SCHEMBL31685229 | 0.77 | CYP2C9 (0.46) | CYP2C9CYP2D6CYP3A4CYP2C19ERN1 | |
| SCHEMBL415893 | 0.77 | CYP2C9 (0.46) | CYP2C9CYP2D6CYP3A4CYP2C19ERN1 | |
| SCHEMBL7926449 | 0.76 | KIF11 (0.42) | CYP2C9CYP2D6KIF11CTSS | |
| SCHEMBL8401304 | 0.76 | KIF11 (0.42) | CYP2C9CYP2D6KIF11SLC22A12ERN1 |
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-0396987-B1 | Nuclear fluorinated trifluoromethylbenzaldehydes | BAYER AG (DE) | 1994-06-15 | — | — | EP | disclosed |
| US-5041683-A | Nuclear-fluorinated trifluoromethylbenzaldehydes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |
| EP-0396987-A2 | Nuclear fluorinated trifluoromethylbenzaldehydes | BAYER AG (DE) | 1990-11-14 | — | — | EP | disclosed |