Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL22952977 | 0.85 | DRD1 (0.33) | HTR2APARP1DRD2DRD1SLC6A4 | |
| SCHEMBL22952975 | 0.82 | DRD2 (0.36) | DRD2DRD1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22952973 | 0.79 | PARP1 (0.38) | PARP1CYP3A4MAPK1ALOX15TSHR | |
| SCHEMBL22952971 | 0.79 | HTR2A (0.35) | HTR2APARP1DRD2DRD1CYP3A4 | |
| SCHEMBL22953390 | 0.78 | HTR2A (0.36) | HTR2APARP1DRD2DRD1 | |
| SCHEMBL6345215 | 0.74 | HTR2A (0.46) | HTR2APARP1DRD2DRD1CYP3A4 | |
| SCHEMBL29383649 | 0.74 | HTR2A (0.46) | HTR2APARP1DRD2DRD1CYP3A4 | |
| SCHEMBL22953343 | 0.74 | PARP1 (0.41) | PARP1DRD2DRD1CYP3A4MAPK1 | |
| Bromide SCHEMBL3668719 | 0.73 | HTR2A (0.45) | HTR2APARP1DRD2DRD1CYP3A4 | |
| SCHEMBL22953344 | 0.69 | PARP1 (0.39) | PARP1DRD1CYP3A4MAPK1ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021021922-A1 | COMPOUNDS AND METHODS FOR TREATING FIBROTIC PATHOLOGIES | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2021-02-04 | — | — | WO | disclosed |