Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4660088 | 0.92 | ALDH1A1 (0.41) | ALDH1A1CYP2A6CYP2C9CYP2C19HPGD | |
| SCHEMBL4663676 | 0.92 | ALDH1A1 (0.43) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL4660174 | 0.86 | ALOX5 (0.39) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL4660164 | 0.85 | SMN1; SMN2 (0.41) | ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL4661572 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL4659895 | 0.84 | KMT2A (0.46) | ALDH1A1HPGDHTTMEN1LMNA | |
| SCHEMBL6404486 | 0.84 | KMT2A (0.46) | ALDH1A1HPGDHTTMEN1LMNA | |
| SCHEMBL4659897 | 0.84 | KMT2A (0.46) | ALDH1A1HPGDHTTMEN1LMNA | |
| SCHEMBL4661715 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CYP2C9CYP2C19HPGDHTT | |
| SCHEMBL4660208 | 0.83 | CYP2C9 (0.45) | ALDH1A1CYP2C9CYP2C19HPGDHTT |
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-1620102-B1 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | WYETH CORP (US) | 2008-12-24 | — | — | EP | claimed |