Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 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 | |
|---|---|---|---|---|
| SCHEMBL29913471 | 0.88 | CHRM2 (0.49) | CHRM2CYP2D6CYP2C9CHRM3CYP2C19 | |
| SCHEMBL29913676 | 0.85 | KDM4E (0.45) | CHRM2CYP2D6CYP2C9CHRM3CYP2C19 | |
| SCHEMBL29913599 | 0.83 | CHRM3 (0.47) | CHRM2CHRM3CYP3A4DRD4 | |
| SCHEMBL29913632 | 0.83 | CHRM3 (0.47) | CHRM2CHRM3CYP3A4DRD4 | |
| SCHEMBL29913476 | 0.80 | PARP2 (0.35) | CHRM3 | |
| SCHEMBL29913680 | 0.78 | CHRM2 (0.47) | CHRM2CYP2C9CHRM3CYP3A4DRD4 | |
| SCHEMBL27228349 | 0.78 | PRKAA2 (0.51) | CYP2D6SIGMAR1PRKAA2 | |
| SCHEMBL29913595 | 0.78 | MAPK1 (0.36) | CYP2D6CHRM3 | |
| SCHEMBL29913368 | 0.78 | HRH1 (0.40) | CHRM2CHRM3 | |
| SCHEMBL29913422 | 0.74 | CHRM3 (0.43) | CHRM2CYP2D6CYP2C9CHRM3CYP2C19 |
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-4305029-A1 | NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS SIGMA LIGANDS | Acondicionamiento Tarrasense (ES) | 2024-01-17 | — | — | EP | disclosed |
| WO-2022189392-A1 | NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-b]PYRIDINE DERIVATIVES AS SIGMA LIGANDS | ACONDICIONAMIENTO TARRASENSE (ES) | 2022-09-15 | — | — | WO | disclosed |