Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | IL1B | P01584 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24542976 | 1.00 | HTT (0.41) | HTTSMN1; SMN2L3MBTL1POLBCYP3A4 | |
| SCHEMBL6695072 | 0.76 | L3MBTL1 (0.48) | HTTSMN1; SMN2L3MBTL1POLBCYP3A4 | |
| SCHEMBL6695069 | 0.75 | ALDH1A1 (0.47) | HTTSMN1; SMN2L3MBTL1POLBCYP3A4 | |
| SCHEMBL29660103 | 0.74 | CYP3A4 (0.49) | HTTSMN1; SMN2L3MBTL1POLBCYP3A4 | |
| SCHEMBL3801839 | 0.74 | HTT (0.46) | HTTSMN1; SMN2L3MBTL1POLBCYP2C9 | |
| SCHEMBL27611364 | 0.74 | L3MBTL1 (0.45) | HTTSMN1; SMN2L3MBTL1POLBCYP3A4 | |
| SCHEMBL5593462 | 0.71 | NR3C2 (0.47) | CDC7DBF4 | |
| SCHEMBL27830902 | 0.70 | PIN1 (0.43) | CYP3A4ALDH1A1MAPTLMNAKMT2A | |
| SCHEMBL13886136 | 0.70 | ALDH1A1 (0.45) | HTTSMN1; SMN2L3MBTL1POLBCYP3A4 | |
| SCHEMBL5004400 | 0.69 | CASP1 (0.41) | SMN1; SMN2POLBCYP2C9NPSR1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |