Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | IGF1R | P08069 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30855014 | 0.87 | MTNR1A (0.53) | KDM4EALDH1A1MTNR1AMTNR1BGAA | |
| SCHEMBL25046109 | 0.76 | BCHE (0.58) | AURKARPS6KB1KDM4EALDH1A1GAA | |
| SCHEMBL24163604 | 0.76 | FFAR1 (0.43) | ROCK1KDM4EALDH1A1CYP1A2MEN1 | |
| SCHEMBL22191536 | 0.75 | AURKA (0.49) | AURKARPS6KB1ROCK2ROCK1KDM4E | |
| SCHEMBL17790188 | 0.75 | KDM4E (0.51) | AURKARPS6KB1ROCK2ROCK1KDM4E | |
| SCHEMBL30854997 | 0.75 | PPARA (0.41) | ROCK2ROCK1KDM4EALDH1A1 | |
| SCHEMBL30854977 | 0.75 | ROCK2 (0.49) | AURKARPS6KB1ROCK2ROCK1KDM4E | |
| SCHEMBL7046408 | 0.73 | FABP1 (0.50) | KDM4EALDH1A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL28971693 | 0.73 | CLK4 (0.52) | KDM4EGAAEGFRIGF1RMEN1 | |
| SCHEMBL25302034 | 0.73 | CHRM2 (0.59) | KDM4EALDH1A1MAPK1MEN1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-117916237-A | Amino aryl integrin agonist compounds | 德克萨斯心脏研究所 | 2024-04-19 | — | — | CN | claimed |
| CN-117916237-A | Amino aryl integrin agonist compounds | 德克萨斯心脏研究所 | 2024-04-19 | — | — | CN | disclosed |