Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 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 | |
|---|---|---|---|---|
| SCHEMBL13307802 | 0.80 | EGFR (0.35) | CYP2A6MAOAMAOB | |
| SCHEMBL4046273 | 0.79 | CYP2A6 (0.36) | CYP2A6MAOAMAOBPIM1PIM2 | |
| SCHEMBL20582009 | 0.76 | LIG1 (0.41) | CYP2A6MAOAMAOBPIM1PIM2 | |
| SCHEMBL4770412 | 0.76 | LIG1 (0.37) | CYP2A6MAOAMAOBPIM1PIM2 | |
| SCHEMBL14710732 | 0.74 | TAAR1 (0.35) | CNR1CYP2A6MAOAMAOBPIM1 | |
| SCHEMBL28937814 | 0.72 | LIG1 (0.34) | — | |
| SCHEMBL28173283 | 0.72 | MMP2 (0.35) | MAOAMAOBPIM1PIM2 | |
| Hydrochloric Acid SCHEMBL28028597 | 0.70 | MMP2 (0.35) | MAOAMAOBPIM1PIM2 | |
| SCHEMBL21944284 | 0.67 | MMP2 (0.33) | — | |
| SCHEMBL31219459 | 0.67 | CYP2A6 (0.36) | CNR1CYP2A6 |
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-2022257961-A1 | BENZOHETEROCYCLIC COMPOUND FOR TREATING EP2 AND EP4 RECEPTOR-MEDIATED DISEASES | 武汉人福创新药物研发中心有限公司 | 2022-12-15 | — | — | WO | disclosed |
| CN-115448882-A | Benzoheterocyclic compounds useful for the treatment of EP2, EP4 receptor mediated diseases | 武汉人福创新药物研发中心有限公司 | 2022-12-09 | — | — | CN | disclosed |