Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.47 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.47 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.43 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25093446 | 1.00 | PARP1 (0.48) | PARP1ACVR1TNK2TNK1ADRB1 | |
| Hydrochloric Acid SCHEMBL29152389 | 0.99 | PARP1 (0.48) | PARP1ACVR1TNK2TNK1ADRB1 | |
| SCHEMBL29960471 | 0.91 | ACVR1 (0.45) | PARP1ACVR1TNK2TNK1ADRB1 | |
| Hydrochloric Acid SCHEMBL708308 | 0.84 | PARP1 (0.49) | PARP1ACVR1TNK1ADRB1MAPT | |
| SCHEMBL4433812 | 0.84 | ACVR1 (0.50) | ACVR1ADRB1MAPTNPC1RAB9A | |
| SCHEMBL7652198 | 0.83 | ACVR1 (0.47) | ACVR1ADRB1MAPTKDRALDH1A1 | |
| SCHEMBL29115477 | 0.83 | ADRB1 (0.56) | PARP1TNK1ADRB1MAPTNPC1 | |
| SCHEMBL29115505 | 0.83 | FGFR1 (0.45) | PARP1TNK2TNK1MAPTNPC1 | |
| SCHEMBL29115516 | 0.83 | FGFR1 (0.45) | PARP1TNK2TNK1MAPTNPC1 | |
| SCHEMBL29115507 | 0.83 | FGFR1 (0.45) | PARP1TNK2TNK1MAPTNPC1 |
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-116710433-A | Selective PARP1 inhibitor and application thereof | 成都百裕制药股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2022222966-A1 | SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |