Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.38 |
| ▸ | PTGES | O14684 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 5/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4663676 | 0.89 | ALDH1A1 (0.43) | ALDH1A1GAACYP1A2ALOX5HTT | |
| SCHEMBL4661478 | 0.84 | ACP3 (0.41) | ALDH1A1KDM4EGAACYP1A2ALOX5 | |
| SCHEMBL4660088 | 0.84 | ALDH1A1 (0.41) | ALDH1A1GAACYP2A6ALOX5PTGES | |
| SCHEMBL4660034 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAAHTTNPSR1 | |
| SCHEMBL4661582 | 0.81 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2A6ALOX5PTGES | |
| SCHEMBL4660174 | 0.81 | ALOX5 (0.39) | ALDH1A1GAACYP1A2ALOX5HTT | |
| SCHEMBL4660099 | 0.81 | KMT2A (0.47) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL4660208 | 0.80 | CYP2C9 (0.45) | ALDH1A1CYP1A2ALOX5HTTNPSR1 | |
| SCHEMBL4662730 | 0.80 | ACP3 (0.43) | ALDH1A1CYP1A2ALOX5PTGESHTT | |
| SCHEMBL4661572 | 0.79 | ALDH1A1 (0.39) | ALDH1A1KDM4EGAACYP1A2ALOX5 |
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 |