Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7303931 | 0.90 | CYP2D6 (0.53) | CYP2D6CYP1A2CYP2C19SLC6A4IDO1 | |
| SCHEMBL2553408 | 0.84 | CYP2C19 (0.46) | CYP2D6CYP1A2CYP2C19SLC6A4IDO1 | |
| SCHEMBL7306770 | 0.84 | CYP2C19 (0.46) | CYP2D6CYP1A2CYP2C19SLC6A4IDO1 | |
| SCHEMBL7300954 | 0.80 | CYP2D6 (0.60) | CYP2D6CYP1A2CYP2C19SLC6A4IDO1 | |
| SCHEMBL7302741 | 0.78 | KDM4E (0.44) | LMNAHTTKMT2AALDH1A1MEN1 | |
| SCHEMBL7308983 | 0.76 | CYP1A2 (0.55) | CYP2D6CYP1A2CYP2C19SLC6A4IDO1 | |
| SCHEMBL18704005 | 0.74 | SLC6A4 (0.52) | SLC6A4IDO1 | |
| SCHEMBL1148887 | 0.74 | CYP1A2 (0.50) | CYP2D6CYP1A2CYP2C19IDO1LMNA | |
| SCHEMBL2552560 | 0.73 | CYP2C19 (0.49) | CYP2D6CYP1A2CYP2C19SLC6A4IDO1 | |
| SCHEMBL7300123 | 0.73 | CYP2C19 (0.49) | CYP2D6CYP1A2CYP2C19SLC6A4IDO1 |
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 |