Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29886486 | 1.00 | NOTUM (0.49) | NOTUMARKIF11MAPTHTT | |
| SCHEMBL2094292 | 0.84 | MAPT (0.53) | NOTUMARKIF11MAPTHTT | |
| SCHEMBL14267841 | 0.82 | NR1H4 (0.36) | NOTUMARKIF11MAPTSMN1; SMN2 | |
| SCHEMBL14267822 | 0.81 | AR (0.49) | NOTUMARKIF11MAPTHTT | |
| SCHEMBL27750253 | 0.80 | NOTUM (0.45) | NOTUMKIF11MAPTHTTMEN1 | |
| Hydrochloric Acid SCHEMBL3614057 | 0.78 | NOTUM (0.44) | NOTUMKIF11MAPTHTTMEN1 | |
| SCHEMBL6535264 | 0.78 | AR (0.46) | ARKIF11MAPTHTTMEN1 | |
| SCHEMBL8167857 | 0.78 | KIF11 (0.50) | ARKIF11DHODH | |
| SCHEMBL29886395 | 0.77 | NOTUM (0.46) | NOTUMKIF11MAPTHTTMEN1 | |
| SCHEMBL23974261 | 0.77 | NOTUM (0.46) | NOTUMKIF11MAPTHTTMEN1 |
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 |