Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | NOS1 | P29475 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2553408 | 1.00 | CYP2C19 (0.46) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7300123 | 0.90 | CYP2C19 (0.49) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2552560 | 0.90 | CYP2C19 (0.49) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7303518 | 0.84 | CYP2D6 (0.46) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1168400 | 0.79 | EPHX1 (0.43) | CYP2C19CYP1A2CYP3A4CYP2D6EPHX1 | |
| SCHEMBL7114970 | 0.79 | EPHX1 (0.43) | CYP2C19CYP1A2CYP3A4CYP2D6EPHX1 | |
| SCHEMBL2549520 | 0.79 | EPHX1 (0.43) | CYP2C19CYP1A2CYP3A4CYP2D6EPHX1 | |
| SCHEMBL2453778 | 0.79 | CYP2C19 (0.57) | CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL7302037 | 0.78 | KMT2A (0.42) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7308983 | 0.78 | CYP1A2 (0.55) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |