Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5088784 | 0.93 | ALDH1A1 (0.52) | ALDH1A1GAAMMEACECPA1 | |
| SCHEMBL9826152 | 0.85 | LMNA (0.61) | ALDH1A1GAAMMEACECPA1 | |
| SCHEMBL7378635 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAAMMEACECPA1 | |
| SCHEMBL7378637 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GAAMMEACECPA1 | |
| SCHEMBL3376451 | 0.81 | TACR1 (0.60) | ALDH1A1GAAACEITGA4ITGB7 | |
| SCHEMBL31407351 | 0.81 | TACR1 (0.60) | ALDH1A1GAAACEITGA4ITGB7 | |
| SCHEMBL3376442 | 0.81 | TACR1 (0.60) | ALDH1A1GAAACEITGA4ITGB7 | |
| SCHEMBL22444637 | 0.79 | MDM4 (0.52) | ALDH1A1GAA | |
| SCHEMBL29855217 | 0.79 | MDM4 (0.52) | ALDH1A1GAA | |
| SCHEMBL29557307 | 0.79 | MDM4 (0.52) | ALDH1A1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0891325-A1 | PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-01-20 | — | — | EP | claimed |
| WO-1997036859-A1 | PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | WO | claimed |