Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 4/20 | 0.34 |
| ▸ | CASP3 | P42574 | 3/20 | 0.34 |
| ▸ | DAO | P14920 | 2/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL24156586 | 1.00 | PARP1 (0.39) | PARP1PARP2TYMSCASP3DAO | |
| SCHEMBL24157397 | 0.83 | DAO (0.39) | PARP1PARP2TYMSCASP3DAO | |
| SCHEMBL30212493 | 0.83 | DAO (0.39) | PARP1PARP2TYMSCASP3DAO | |
| SCHEMBL24157206 | 0.81 | TYMS (0.34) | PARP1TYMSCASP3DAOHCAR1 | |
| SCHEMBL15231476 | 0.81 | CASP3 (0.37) | PARP1PARP2TYMSCASP3DAO | |
| SCHEMBL24157238 | 0.81 | PARP1 (0.41) | PARP1PARP2TYMSCASP3DAO | |
| SCHEMBL30297098 | 0.81 | PARP1 (0.41) | PARP1PARP2TYMSCASP3DAO | |
| SCHEMBL24156605 | 0.80 | TYMS (0.35) | TYMSDAO | |
| SCHEMBL24156576 | 0.80 | TYMS (0.35) | TYMSDAO | |
| SCHEMBL24157278 | 0.80 | KDM4E (0.48) | PARP1PARP2TYMSDAOGPR17 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025090418-A1 | PARP1 INHIBITORS AND USES THEREOF | GILEAD SCIENCES, INC. (US) | 2025-05-01 | — | — | WO | disclosed |
| CN-119365457-A | Compounds having PARP1 inhibitory activity and uses thereof | 上海海和药物研究开发股份有限公司 | 2025-01-24 | — | — | CN | disclosed |
| EP-4452256-A1 | METHODS OF TREATING BRAIN TUMOURS AND NEUROBLASTOMAS | Astrazeneca AB (SE) | 2024-10-30 | — | — | EP | disclosed |
| CN-118496203-A | Quinoxaline compound and medical application thereof | 苏州隆博泰药业有限公司 | 2024-08-16 | — | — | CN | disclosed |
| CN-117946074-A | Compounds having PARP1 inhibitory activity and uses thereof | 上海海和药物研究开发股份有限公司 | 2024-04-30 | — | — | CN | disclosed |
| CN-117447449-A | PARP1 inhibitor and application thereof | 南京圣和药业股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| WO-2023118085-A1 | METHODS OF TREATING BRAIN TUMOURS AND NEUROBLASTOMAS | ASTRAZENECA AB (SE) | 2023-06-29 | — | — | WO | disclosed |
| EP-4172152-A1 | QUINOXALINE DERIVATIVES AS ANTI-CANCER DRUGS | Astrazeneca AB (SE) | 2023-05-03 | — | — | EP | disclosed |
| WO-2023046149-A1 | QUINOXALINE COMPOUND AND MEDICINAL USE THEREOF | 张文燕 | 2023-03-30 | — | — | WO | disclosed |