Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 8/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.47 |
| ▸ | DRD4 | P21917 | 7/20 | 0.42 |
| ▸ | DRD2 | P14416 | 6/20 | 0.42 |
| ▸ | DRD3 | P35462 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL29913632 | 1.00 | CHRM3 (0.47) | CHRM3CHRM2DRD4DRD2DRD3 | |
| SCHEMBL29913680 | 0.85 | CHRM2 (0.47) | CHRM3CHRM2DRD4DRD2DRD3 | |
| SCHEMBL29913518 | 0.83 | CHRM2 (0.43) | CHRM3CHRM2DRD4CYP3A4 | |
| SCHEMBL29913471 | 0.81 | CHRM2 (0.49) | CHRM3CHRM2ALDH1A1HSD17B10ACHE | |
| SCHEMBL29913422 | 0.79 | CHRM3 (0.43) | CHRM3CHRM2DRD4DRD2DRD3 | |
| SCHEMBL29913465 | 0.79 | CHRM2 (0.47) | CHRM3CHRM2DRD4DRD2DRD3 | |
| SCHEMBL29913595 | 0.78 | MAPK1 (0.36) | CHRM3DRD2MAPK1 | |
| SCHEMBL29913476 | 0.77 | PARP2 (0.35) | CHRM3KDM4E | |
| SCHEMBL27232294 | 0.77 | DRD4 (0.48) | DRD4DRD2MAPK1BACE1 | |
| SCHEMBL27228648 | 0.77 | DRD4 (0.48) | DRD4DRD2MAPK1BACE1 |
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 |