Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ACLY | P53396 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29115675 | 0.88 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4ECYP1A2ACLY | |
| SCHEMBL21832673 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4ECYP1A2ACLY | |
| SCHEMBL27747368 | 0.77 | MAPT (0.47) | ALDH1A1HPGDKDM4ECYP1A2CYP3A4 | |
| SCHEMBL29115378 | 0.76 | ACLY (0.39) | ALDH1A1ACLYMAPKAPK2MAPK8MAPK9 | |
| SCHEMBL29115477 | 0.76 | ADRB1 (0.56) | CYP1A2CYP3A4CYP2C19HTTMAPT | |
| SCHEMBL30542902 | 0.76 | MAPT (0.50) | ALDH1A1HPGDLMNATSHRNPSR1 | |
| SCHEMBL21360370 | 0.76 | KDR (0.45) | ALDH1A1HTR1A | |
| SCHEMBL531792 | 0.76 | MAPT (0.50) | ALDH1A1HPGDLMNATSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL31032930 | 0.75 | MAPT (0.49) | ALDH1A1HPGDLMNATSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL30858323 | 0.75 | MAPT (0.49) | ALDH1A1HPGDLMNATSHRNPSR1 |
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 |