Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5561662 | 0.86 | MAP2K1 (0.54) | MAP2K1ALDH1A1L3MBTL1KIF11TDP1 | |
| SCHEMBL10227598 | 0.84 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1TDP1SMN1; SMN2HSD17B10 | |
| SCHEMBL19765580 | 0.84 | MAP2K1 (0.49) | MAP2K1ALDH1A1L3MBTL1KIF11EPHX1 | |
| SCHEMBL1192735 | 0.83 | MAP2K1 (0.54) | MAP2K1L3MBTL1KIF11EPHX1SMN1; SMN2 | |
| SCHEMBL20096581 | 0.81 | EPHX1 (0.57) | MAP2K1ALDH1A1L3MBTL1KIF11EPHX1 | |
| SCHEMBL28875490 | 0.81 | KDR (0.57) | MAP2K1ALDH1A1L3MBTL1KIF11EPHX1 | |
| SCHEMBL17988061 | 0.81 | MAP2K1 (0.55) | MAP2K1ALDH1A1L3MBTL1KIF11EPHX1 | |
| SCHEMBL5987928 | 0.80 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TDP1SMN1; SMN2HSD17B10 | |
| SCHEMBL463590 | 0.79 | AR (0.62) | MAP2K1ALDH1A1L3MBTL1KIF11EPHX1 | |
| SCHEMBL9807561 | 0.79 | MAP2K1 (0.54) | MAP2K1ALDH1A1L3MBTL1KIF11TDP1 |
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-2021219090-A1 | QUINOXALINE DIONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN | 北京泰德制药股份有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |