Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7299709 | 0.98 | ALDH1A1 (0.50) | ALDH1A1MAPK1MAOAMAOBCYP1A2 | |
| SCHEMBL7312820 | 0.89 | ALDH1A1 (0.49) | ALDH1A1MAPK1MAOAMAOBCYP1A2 | |
| SCHEMBL17335852 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPK1MAOAMAOBCYP1A2 | |
| SCHEMBL1835846 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MAOAMAOBMEN1KMT2A | |
| SCHEMBL1837763 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MAOAMAOBMEN1KMT2A | |
| SCHEMBL7302286 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5683208 | 0.81 | ALDH1A1 (0.52) | ALDH1A1MAPK1MAOAMAOBCYP1A2 | |
| Hydrochloric Acid SCHEMBL7297800 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3614462 | 0.80 | MAOA (0.59) | ALDH1A1MAPK1MAOAMAOBCYP1A2 | |
| SCHEMBL3614466 | 0.80 | MAOA (0.59) | ALDH1A1MAPK1MAOAMAOBCYP1A2 |
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 |