Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16938669 | 0.82 | HTR2A (0.60) | PARP1HTR2ACYP3A4DRD2DRD1 | |
| SCHEMBL3672464 | 0.82 | HTR2A (0.60) | PARP1HTR2ACYP3A4DRD2DRD1 | |
| SCHEMBL3670524 | 0.82 | HTR2A (0.60) | PARP1HTR2ACYP3A4DRD2DRD1 | |
| SCHEMBL29383346 | 0.82 | HTR2A (0.60) | PARP1HTR2ACYP3A4DRD2DRD1 | |
| SCHEMBL22953388 | 0.78 | HTR2A (0.43) | PARP1HTR2AMAPK1CYP3A4ALOX15 | |
| SCHEMBL22952989 | 0.77 | PARP1 (0.43) | PARP1HTR2AMAPK1CYP3A4ALOX15 | |
| Bromide SCHEMBL11014029 | 0.76 | HTR2A (0.46) | PARP1HTR2AMAPK1CYP3A4NFKB1 | |
| SCHEMBL22952987 | 0.76 | PARP1 (0.41) | PARP1HTR2AMAPK1CYP3A4ALOX15 | |
| SCHEMBL22953341 | 0.75 | PARP1 (0.43) | PARP1MAPK1CYP3A4ALOX15TSHR | |
| SCHEMBL22953390 | 0.75 | HTR2A (0.36) | PARP1HTR2ADRD2DRD1KIF11 |
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 |