Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL396017 | 0.83 | CA2 (0.55) | CA2GABRA1GABRB2LMNAGAA | |
| SCHEMBL8007178 | 0.76 | PDK2 (0.44) | CA2GABRA1GABRB2LMNAGAA | |
| SCHEMBL5515511 | 0.76 | ALDH1A1 (0.52) | CA2GABRA1GABRB2LMNAGAA | |
| SCHEMBL30863576 | 0.75 | ALDH1A1 (0.43) | CA2LMNAGAAPDK2NFKB1 | |
| SCHEMBL728455 | 0.75 | ALDH1A1 (0.43) | CA2LMNAGAAPDK2NFKB1 | |
| SCHEMBL13601607 | 0.74 | HSD11B1 (0.40) | CA2LMNAGAAPDK2AXL | |
| SCHEMBL20600777 | 0.74 | ALB (0.43) | CA2GABRA1GABRB2LMNAGAA | |
| SCHEMBL13601605 | 0.74 | MPL (0.40) | AXLKIF11ALDH1A1POLBTDP1 | |
| SCHEMBL14034744 | 0.74 | — | — | |
| Water SCHEMBL27581485 | 0.73 | ALDH1A1 (0.41) | CA2LMNAGAANFKB1KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021086833-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2021-05-06 | — | — | WO | disclosed |