Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 1/20 | 0.34 |
| ▸ | RHOC | P08134 | 2/20 | 0.34 |
| ▸ | RHOA | P61586 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7375082 | 1.00 | NNMT (0.34) | NNMTRHOCRHOATRPA1BCHE | |
| SCHEMBL7382280 | 0.87 | NR1H4 (0.38) | GPR132 | |
| SCHEMBL7382275 | 0.87 | NR1H4 (0.38) | GPR132 | |
| SCHEMBL7375612 | 0.86 | TRPA1 (0.38) | NNMTRHOCRHOATRPA1BCHE | |
| SCHEMBL7375074 | 0.86 | TRPA1 (0.38) | NNMTRHOCRHOATRPA1BCHE | |
| SCHEMBL7409609 | 0.79 | ALDH1A1 (0.38) | GPR132TP53 | |
| SCHEMBL7409613 | 0.79 | ALDH1A1 (0.38) | GPR132TP53 | |
| SCHEMBL8432545 | 0.79 | BCHE (0.32) | BCHETACR1TP53 | |
| SCHEMBL7375604 | 0.77 | ALDH1A1 (0.39) | GPR132 | |
| SCHEMBL7375609 | 0.77 | ALDH1A1 (0.39) | GPR132 |
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 |