Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL7308983 | 0.91 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL623816 | 0.82 | SLC6A2 (0.62) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL7299332 | 0.81 | KMT2A (0.44) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL11568937 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL10730183 | 0.78 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL7300123 | 0.77 | CYP2C19 (0.49) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL2552560 | 0.77 | CYP2C19 (0.49) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL7304019 | 0.76 | SLC6A2 (0.54) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL3128931 | 0.74 | PNMT (0.48) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL5181445 | 0.74 | PNMT (0.48) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |