Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | MGMT | P16455 | 4/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20595507 | 0.85 | MGMT (0.48) | NUDT1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL30026947 | 0.85 | MGMT (0.48) | NUDT1MGMTCDK1CCNB1CCNA2 | |
| Hydrochloric Acid SCHEMBL25369331 | 0.83 | MGMT (0.47) | NUDT1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL30271360 | 0.79 | ALDH1A1 (0.35) | L3MBTL1MAPTRAB9ASMN1; SMN2LMNA | |
| SCHEMBL30271325 | 0.79 | TRPV3 (0.46) | NUDT1GAAL3MBTL1MAPTMAOB | |
| SCHEMBL30271339 | 0.78 | PIN1 (0.49) | MGMTRAB9ALMNAPIN1 | |
| SCHEMBL2191517 | 0.77 | LTA4H (0.49) | NUDT1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL29424833 | 0.77 | LTA4H (0.49) | NUDT1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL26329102 | 0.76 | CYP1A2 (0.46) | NUDT1GAAL3MBTL1MAPTMAOA | |
| SCHEMBL6175355 | 0.75 | L3MBTL1 (0.46) | NUDT1MGMTCDK1CCNB1CCNA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118043041-A | LPAR1 antagonists and uses thereof | 康蒂内乌姆医疗公司 | 2024-05-14 | — | — | CN | disclosed |