Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL28821124 | 0.79 | PSMD14 (0.43) | ALDH1A1KDM4EHPGDCYP1A2GAA | |
| SCHEMBL15890236 | 0.75 | NPC1 (0.50) | ALDH1A1KDM4EGAAATMTDP1 | |
| SCHEMBL31320136 | 0.74 | GAA (0.51) | ALDH1A1KDM4EHPGDGAAMAPT | |
| SCHEMBL27430309 | 0.74 | KIT (0.53) | ALDH1A1KDM4EHPGDCYP1A2GAA | |
| SCHEMBL1010290 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP1A2GAATDP1 | |
| SCHEMBL25184478 | 0.72 | AAK1 (0.40) | ALDH1A1KDM4EHPGDGAAMAPT | |
| SCHEMBL3783571 | 0.72 | KDM4E (0.78) | ALDH1A1KDM4EHPGDCYP1A2GAA | |
| SCHEMBL31320134 | 0.72 | KDM4E (0.40) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL13685315 | 0.71 | TRPV1 (0.49) | ALDH1A1KDM4EGAATDP1MAPT | |
| SCHEMBL12982420 | 0.71 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDCYP1A2GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024240108-A1 | ARYL UREA PARP1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2024-11-28 | — | — | WO | disclosed |