Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 3/20 | 0.46 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.46 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30851292 | 1.00 | HSD17B1 (0.52) | HSD17B1HSD17B2ARFYNBMPR1A | |
| SCHEMBL29461710 | 0.81 | HSD17B1 (0.56) | HSD17B1HSD17B2FYNBMPR1ATGFBR1 | |
| SCHEMBL30129857 | 0.80 | FYN (0.60) | HSD17B1HSD17B2FYNBMPR1ATGFBR1 | |
| SCHEMBL30851237 | 0.79 | NR1H2 (0.48) | PIK3CDPIK3CAPIK3CBPIK3CGKCNH2 | |
| SCHEMBL24967930 | 0.79 | NR1H2 (0.48) | PIK3CDPIK3CAPIK3CBPIK3CGKCNH2 | |
| SCHEMBL24967931 | 0.78 | SYK (0.55) | PIK3CDPIK3CAPIK3CBPIK3CGKCNH2 | |
| SCHEMBL29461830 | 0.78 | FYN (0.55) | HSD17B1HSD17B2FYNBMPR1ATGFBR1 | |
| SCHEMBL24968411 | 0.77 | AURKA (0.41) | PIK3CDPIK3CAPIK3CBPIK3CGKCNH2 | |
| SCHEMBL30851250 | 0.77 | AURKA (0.41) | PIK3CDPIK3CAPIK3CBPIK3CGKCNH2 | |
| SCHEMBL27233781 | 0.77 | MAPT (0.41) | ARPIK3CDPIK3CAPIK3CBPIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| CN-117642393-A | Novel PARP7 inhibitor and application thereof | 上海齐鲁制药研究中心有限公司 | 2024-03-01 | — | — | CN | disclosed |
| WO-2023006013-A1 | NOVEL PARP7 INHIBITOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2023-02-02 | — | — | WO | disclosed |