Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.51 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PMM2 | O15305 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL806604 | 0.78 | PLAU (0.55) | PLAUSLC9A1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL31425959 | 0.77 | PLAU (0.53) | PLAUSLC9A1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL30617314 | 0.75 | PLAU (0.51) | PLAUSLC9A1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL10689841 | 0.75 | PLAU (0.51) | PLAUSLC9A1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL16361159 | 0.75 | PLAU (0.56) | PLAUSLC9A1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL28524731 | 0.75 | PLAU (0.56) | PLAUSLC9A1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL4805056 | 0.75 | CA2 (0.53) | PLAUSLC9A1CYP1A2ALDH1A1GPR3 | |
| SCHEMBL23980186 | 0.75 | SLC9A1 (0.49) | PLAUSLC9A1CYP1A2ALDH1A1GPR3 | |
| SCHEMBL4803355 | 0.75 | CA2 (0.55) | SLC9A1ALDH1A1L3MBTL1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10586469 | 0.73 | PLAU (0.54) | PLAUSLC9A1CYP1A2CYP2A6ALDH1A1 |
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-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |