Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.40 |
| ▸ | TSPO | P30536 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.39 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2468863 | 0.83 | GRM5 (0.46) | GRM5KDRTAAR1ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL2942831 | 0.82 | GRM5 (0.45) | GRM5KDRTAAR1ITGB1ITGA4 | |
| SCHEMBL6071585 | 0.78 | TAAR1 (0.48) | GRM5KDRTAAR1ITGB1ITGA4 | |
| SCHEMBL930769 | 0.77 | GRM5 (0.41) | GRM5KDRALDH1A1 | |
| SCHEMBL24189390 | 0.75 | ALDH1A1 (0.59) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL160602 | 0.75 | BTK (0.47) | GRM5KDRBTKALDH1A1 | |
| SCHEMBL8348068 | 0.74 | GRM5 (0.50) | GRM5KDRTAAR1ITGB1ITGA4 | |
| SCHEMBL10829377 | 0.74 | TAAR1 (0.49) | GRM5KDRTAAR1ITGB1ITGA4 | |
| Bromide SCHEMBL3344723 | 0.72 | GRM5 (0.41) | GRM5KDRTAAR1TRPV4SORT1 | |
| SCHEMBL19151683 | 0.72 | RAB9A (0.53) | GRM5ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023141593-A2 | PROCESS FOR SYNTHESIS OF GALBULIMIMA ALKALOID 18 AND COMPOUNDS USEFUL AS OPIOID RECEPTOR ANTAGONISTS AND AGONISTS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-07-27 | — | — | WO | disclosed |
| WO-2021257828-A1 | SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC (US) | 2021-12-23 | — | — | WO | disclosed |