Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | NQO2 | P16083 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21348932 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL21326520 | 0.85 | KEAP1 (0.46) | ALDH1A1KDM4EL3MBTL1HPGDKMT2A | |
| SCHEMBL21349700 | 0.83 | KDM4E (0.53) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1GAA | |
| SCHEMBL21349339 | 0.82 | KDM4E (0.47) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL28906480 | 0.79 | PLA2G2A (0.40) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1GAA | |
| SCHEMBL28906484 | 0.76 | MAPT (0.42) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL21551592 | 0.76 | PLA2G2A (0.43) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL30931812 | 0.76 | PLA2G2A (0.43) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL391203 | 0.75 | POLB (0.50) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL21349340 | 0.72 | KDM4E (0.51) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1HPGD |
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 |