Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | FAP | Q12884 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL30364155 | 0.92 | MAPK1 (0.35) | PARP1KCNH2HRH3HDAC3DPP4 | |
| SCHEMBL19691139 | 0.92 | MAPK1 (0.35) | PARP1KCNH2HRH3HDAC3DPP4 | |
| SCHEMBL30399174 | 0.88 | HTR2C (0.42) | PARP1HDAC3 | |
| SCHEMBL29874963 | 0.82 | DRD2 (0.35) | KCNH2 | |
| SCHEMBL28807401 | 0.80 | PARP1 (0.39) | PARP1 | |
| SCHEMBL29875020 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL3069885 | 0.73 | HDAC3 (0.43) | PARP1KCNH2HDAC3HSD17B3CA1 | |
| SCHEMBL7237449 | 0.72 | HTR2C (0.34) | PARP1HDAC3 | |
| SCHEMBL5360614 | 0.71 | PARP1 (0.37) | PARP1HDAC3 | |
| SCHEMBL5819959 | 0.70 | PRCP (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105130966-B | Alkynyl compounds and its application method and purposes | 广东东阳光药业有限公司 | 2019-05-24 | — | — | CN | disclosed |