Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | F2R | P25116 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25738013 | 0.84 | BDKRB1 (0.37) | BDKRB1MAPK1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL25960670 | 0.69 | IRAK4 (0.36) | MAPK1LCKCFTRALDH1A1KDM4E | |
| SCHEMBL3702528 | 0.69 | KMT2A (0.47) | BDKRB1TSHRKMT2AALDH1A1KDM4E | |
| SCHEMBL10467645 | 0.66 | MAPK1 (0.52) | TSHRMAPK1LCKCFTRALDH1A1 | |
| SCHEMBL23481952 | 0.66 | NOTUM (0.40) | MAPK1LCKCFTRKMT2AALDH1A1 | |
| SCHEMBL1547570 | 0.66 | KDM4E (0.54) | BDKRB1TSHRKMT2AALDH1A1KDM4E | |
| SCHEMBL1547669 | 0.66 | ALDH1A1 (0.57) | HTTTSHRKMT2AALDH1A1KDM4E | |
| SCHEMBL22219694 | 0.65 | MAPK1 (0.44) | MAPK1LCKALDH1A1KDM4EHPGD | |
| SCHEMBL23481953 | 0.65 | NOTUM (0.40) | MAPK1LCKCFTRALDH1A1KDM4E | |
| SCHEMBL38655800 | 0.64 | MAPK1 (0.43) | MAPK1LCKCFTRALDH1A1KDM4E |
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-2023109521-A1 | PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 凯复(苏州)生物医药有限公司 | 2023-06-22 | — | — | WO | disclosed |