Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1349783 | 0.81 | ERN1 (0.41) | EPAS1ERN1CYP2C9CYP2C19MEN1 | |
| SCHEMBL9342725 | 0.80 | KIF11 (0.41) | KIF11ERN1CYP2D6CYP2C9 | |
| SCHEMBL22620620 | 0.79 | RAB9A (0.32) | KIF11EPAS1ERN1CYP2D6CYP1A2 | |
| SCHEMBL424780 | 0.78 | KIF11 (0.40) | KIF11CYP2D6CYP2C9MEN1KMT2A | |
| SCHEMBL9342595 | 0.76 | KIF11 (0.38) | KIF11EPAS1CYP2D6CYP2C9 | |
| SCHEMBL6060504 | 0.75 | ERN1 (0.42) | ERN1MEN1ALDH1A1KMT2ATDP1 | |
| SCHEMBL7926449 | 0.73 | KIF11 (0.42) | KIF11EPAS1CYP2D6CYP2C9MEN1 | |
| SCHEMBL29560171 | 0.73 | KIF11 (0.35) | KIF11EPAS1HSD11B1MEN1ALDH1A1 | |
| SCHEMBL9340556 | 0.73 | KIF11 (0.35) | KIF11EPAS1HSD11B1MEN1ALDH1A1 | |
| SCHEMBL18795660 | 0.73 | ERN1 (0.45) | KIF11EPAS1HTR2AHTR2CERN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0396987-A2 | Nuclear fluorinated trifluoromethylbenzaldehydes | BAYER AG (DE) | 1990-11-14 | — | — | EP | claimed |
| 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 |
| EP-0174131-A2 | Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them | FISONS plc (GB) | 1986-03-12 | — | — | EP | disclosed |