Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CLPP | Q16740 | 6/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD5 | P21918 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28542677 | 0.97 | KMT2A (0.41) | C5AR1GAACYP1A2CYP2C9ADORA2A | |
| SCHEMBL30421340 | 0.82 | TMEM97 (0.41) | GAAKMT2A | |
| SCHEMBL30421713 | 0.82 | TMEM97 (0.41) | GAAKMT2A | |
| SCHEMBL21315051 | 0.78 | TMEM97 (0.43) | GAAKMT2AMEN1 | |
| SCHEMBL28503146 | 0.78 | KMT2A (0.31) | GAACYP1A2KMT2ADRD2DRD3 | |
| SCHEMBL21777116 | 0.78 | KMT2A (0.38) | GAACYP1A2KMT2AHTT | |
| SCHEMBL28529445 | 0.78 | GAA (0.42) | C5AR1GAACYP1A2CYP2C9ADORA2A | |
| SCHEMBL2341472 | 0.77 | C5AR1 (0.43) | C5AR1GAACYP1A2CYP2C9ADORA2A | |
| SCHEMBL26010448 | 0.76 | KMT2A (0.36) | GAACYP1A2KMT2AMEN1 | |
| SCHEMBL21777078 | 0.74 | CCNA2 (0.37) | GAAKMT2AHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-112538084-B | Novel KRAS G12C protein inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2023-06-20 | — | — | CN | disclosed |
| CN-112538084-A | Novel KRAS G12C protein inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2021-03-23 | — | — | CN | disclosed |