Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | CCR3 | P51677 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL24200041 | 0.96 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22432783 | 0.93 | ALDH1A1 (0.76) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5401732 | 0.93 | ALDH1A1 (0.76) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2538632 | 0.88 | ALDH1A1 (0.90) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5205368 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1552926 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1787570 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11398679 | 0.86 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL266138 | 0.85 | NPC1 (0.71) | ALDH1A1SIGMAR1NPC1RAB9AMEN1 | |
| Methane SCHEMBL7287824 | 0.85 | ALDH1A1 (0.97) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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-3939954-A1 | METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE | Otsuka Pharmaceutical Co., Ltd. (JP) | 2022-01-19 | — | — | EP | disclosed |