Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL24543287 | 1.00 | GABRA1 (0.37) | GABRA1GABRG2GABRB3GABRB2BCHE | |
| SCHEMBL13114188 | 0.94 | GABRA1 (0.38) | GABRA1GABRG2GABRB3GABRB2RAB9A | |
| SCHEMBL18448344 | 0.86 | GABRA1 (0.36) | GABRA1GABRG2GABRB3GABRB2RAB9A | |
| SCHEMBL2355598 | 0.82 | TAAR1 (0.40) | GABRA1GABRG2GABRB3GABRB2RAB9A | |
| SCHEMBL17586140 | 0.81 | TYR (0.47) | RAB9ANPC1MAPTATML3MBTL1 | |
| SCHEMBL1802629 | 0.81 | ACLY (0.50) | ACLY | |
| SCHEMBL14573964 | 0.81 | TP53 (0.40) | BCHERAB9ANPC1MAPT | |
| SCHEMBL25407039 | 0.81 | MAPT (0.39) | RAB9ANPC1MAPTATML3MBTL1 | |
| SCHEMBL19254235 | 0.81 | CTRC (0.44) | RAB9ANPC1MAPTATML3MBTL1 | |
| SCHEMBL9152124 | 0.79 | ACLY (0.52) | ACLY |
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 |