Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.35 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.35 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL424091 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TDP1CYP3A4HPGDALOX15 | |
| SCHEMBL9341736 | 0.86 | CYP2D6 (0.39) | CYP2D6CYP2C9ALDH1A1TDP1CYP3A4 | |
| SCHEMBL14055530 | 0.79 | ALDH1A1 (0.34) | ALDH1A1TDP1CYP3A4HPGDALOX15 | |
| SCHEMBL424780 | 0.78 | KIF11 (0.40) | CYP2D6CYP2C9TSHRKMT2AMEN1 | |
| SCHEMBL9088284 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TDP1CYP3A4HPGDALOX15 | |
| SCHEMBL1531168 | 0.77 | PDE2A (0.37) | ALDH1A1TDP1CYP3A4HPGDALOX15 | |
| SCHEMBL20564024 | 0.77 | CES2 (0.36) | CYP2D6CYP2C9ALDH1A1CYP3A4KMT2A | |
| SCHEMBL30711864 | 0.77 | TDP1 (0.35) | ALDH1A1TDP1CYP3A4HPGDALOX15 | |
| SCHEMBL660134 | 0.77 | TDP1 (0.35) | ALDH1A1TDP1CYP3A4HPGDALOX15 | |
| SCHEMBL27097096 | 0.77 | CYP2D6 (0.35) | CYP2D6CYP2C9CES2KIF11AR |
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 5 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 | claimed |
| EP-0396987-A2 | Nuclear fluorinated trifluoromethylbenzaldehydes | BAYER AG (DE) | 1990-11-14 | — | — | EP | claimed |
| 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 |