Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18097710 | 0.83 | KDM1A (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL13905164 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL7107363 | 0.78 | CA12 (0.38) | KDM4EALDH1A1TSHR | |
| SCHEMBL23629171 | 0.78 | HPGD (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL30986323 | 0.78 | HPGD (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL29418197 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL20523441 | 0.76 | — | — | |
| SCHEMBL333551 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL11244115 | 0.76 | KDM4E (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL2657319 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023114823-A1 | BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-06-22 | — | — | WO | disclosed |
| WO-2023077070-A1 | RXFP1 AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-05-04 | — | — | WO | disclosed |
| WO-2018183601-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-10-04 | — | — | WO | disclosed |