Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | CLPP | Q16740 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19616762 | 0.93 | GAA (0.46) | GAACYP1A2CYP2C9ADORA2AC5AR1 | |
| SCHEMBL28584194 | 0.84 | KMT2A (0.44) | GAAC5AR1MEN1KMT2ANPC1 | |
| SCHEMBL22969985 | 0.81 | ACHE (0.45) | GAACYP1A2CYP2C9ADORA2AC5AR1 | |
| SCHEMBL14111757 | 0.80 | NPC1 (0.47) | GAACYP1A2CYP2C9ADORA2AC5AR1 | |
| SCHEMBL4863713 | 0.80 | KMT2A (0.52) | GAACYP1A2CYP2C9ADORA2AC5AR1 | |
| SCHEMBL23275858 | 0.79 | GAA (0.48) | GAACYP1A2CYP2C9ADORA2AC5AR1 | |
| SCHEMBL30421267 | 0.78 | TMEM97 (0.46) | CYP1A2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL28535555 | 0.78 | C5AR1 (0.41) | GAACYP1A2CYP2C9ADORA2AC5AR1 | |
| SCHEMBL19616715 | 0.76 | KMT2A (0.50) | GAAC5AR1MEN1KMT2ANPC1 | |
| SCHEMBL12973480 | 0.75 | C5AR1 (0.57) | GAACYP1A2CYP2C9ADORA2AC5AR1 |
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 |