Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 10/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 10/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | DRD4 | P21917 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29913465 | 0.82 | CHRM2 (0.47) | CHRM2CHRM3DRD2DRD4DRD3 | |
| SCHEMBL29913676 | 0.80 | KDM4E (0.45) | CHRM2CHRM3CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29913679 | 0.79 | CHRM2 (0.50) | CHRM2CHRM3CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27228342 | 0.79 | SIGMAR1 (0.51) | ALDH1A1DRD4SIGMAR1 | |
| SCHEMBL29913471 | 0.74 | CHRM2 (0.49) | CHRM2CHRM3CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29913422 | 0.74 | CHRM3 (0.43) | CHRM2CHRM3CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29913518 | 0.73 | CHRM2 (0.43) | CHRM2CHRM3CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29913632 | 0.71 | CHRM3 (0.47) | CHRM2CHRM3CYP3A4ALDH1A1DRD2 | |
| SCHEMBL29913599 | 0.71 | CHRM3 (0.47) | CHRM2CHRM3CYP3A4ALDH1A1DRD2 | |
| SCHEMBL29913506 | 0.71 | HTR3E (0.39) | CHRM2CHRM3CYP2D6 |
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 |