Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.37 |
| ▸ | MAOB | P27338 | 4/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24543321 | 1.00 | NOTUM (0.42) | NOTUMMAOAMAOBPRKCIMAPT | |
| SCHEMBL29673147 | 0.89 | NOTUM (0.48) | NOTUMMAOAMAOBMAPTKDM4E | |
| SCHEMBL2262470 | 0.89 | NOTUM (0.48) | NOTUMMAOAMAOBMAPTKDM4E | |
| SCHEMBL8459403 | 0.81 | MAOA (0.44) | MAOAMAOBPRKCIMAPK1KDM4E | |
| SCHEMBL7815325 | 0.81 | MEN1 (0.49) | NOTUMMAOAMAOBPRKCIMAPT | |
| SCHEMBL30070487 | 0.81 | MAOA (0.44) | MAOAMAOBPRKCIMAPK1KDM4E | |
| SCHEMBL11460490 | 0.79 | BRD4 (0.38) | MAOAMAOBPRKCIMAPTMAPK1 | |
| SCHEMBL30917672 | 0.78 | MAOA (0.41) | MAOAMAOBPRKCIMAPTMAPK1 | |
| SCHEMBL29673079 | 0.78 | NOTUM (0.42) | NOTUMMAOAMAOBPRKCIMAPT | |
| SCHEMBL11741693 | 0.78 | NOTUM (0.42) | NOTUMMAOAMAOBPRKCIMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022127827-A1 | KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-23 | — | — | WO | disclosed |
| CN-114644631-A | KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-06-21 | — | — | CN | disclosed |