Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9810903 | 0.87 | TYR (0.45) | CYP2C19ALDH1A1CYP2A6KDM4ESMN1; SMN2 | |
| SCHEMBL5733567 | 0.87 | CYP2C19 (0.57) | CYP2C19ALDH1A1KDM4EL3MBTL1LMNA | |
| SCHEMBL5732595 | 0.87 | CYP2C19 (0.57) | CYP2C19ALDH1A1KDM4EL3MBTL1LMNA | |
| SCHEMBL96509 | 0.87 | CYP2C19 (0.57) | CYP2C19ALDH1A1KDM4EL3MBTL1LMNA | |
| Ammonia Solution, Strong SCHEMBL27994521 | 0.85 | CYP2C19 (0.55) | CYP2C19ALDH1A1KDM4EL3MBTL1LMNA | |
| Acetic Acid SCHEMBL28193238 | 0.82 | CYP2C19 (0.58) | CYP2C19KDM4EL3MBTL1LMNARIPK1 | |
| Phenylpropanol SCHEMBL28263574 | 0.79 | LMNA (0.70) | ALDH1A1CYP2A6KDM4EL3MBTL1LMNA | |
| Benzaldehyde SCHEMBL10366356 | 0.77 | CYP2C19 (0.51) | CYP2C19ALDH1A1CYP2A6TSHR | |
| Benzaldehyde SCHEMBL28589859 | 0.75 | ALDH1A1 (0.64) | CYP2C19ALDH1A1CYP2A6KDM4ELMNA | |
| SCHEMBL31379019 | 0.75 | KDM4E (0.56) | CYP2C19KDM4EL3MBTL1LMNARIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4978794-A | REACTING WITH AN ALDEHYDE TO FORM OPTICALLY ACTIVE ALCOHOLS | ALDRICH CHEMICAL COMPANY, INC. (US) | 1990-12-18 | — | — | US | disclosed |