Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.37 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL826324 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL29686657 | 0.90 | AOC1 (0.48) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2452413 | 0.90 | AOC1 (0.48) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL17843027 | 0.90 | — | — | |
| Bromide SCHEMBL28268955 | 0.90 | AOC1 (0.48) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| Water SCHEMBL27319944 | 0.90 | — | — | |
| Trifluoroacetic Acid SCHEMBL3635857 | 0.81 | HRH3 (0.54) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL4257664 | 0.78 | AOC1 (0.43) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL8084806 | 0.75 | — | — | |
| SCHEMBL11033825 | 0.73 | GAA (0.51) | AOC1NPC1RAB9ATP53SMN1; SMN2 |
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-2021215545-A1 | ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-10-28 | — | — | WO | disclosed |