Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 1/20 | 0.39 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.34 |
| ▸ | POLR1A | O95602 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 6/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
| ▸ | MERTK | Q12866 | 1/20 | 0.31 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24288101 | 0.77 | IL1B (0.39) | IL1BLRRK2NOS1MERTK | |
| Hydrochloric Acid SCHEMBL30838046 | 0.74 | GPR6 (0.37) | IL1BNOS1 | |
| Hydrochloric Acid SCHEMBL30838021 | 0.74 | JAK1 (0.39) | IL1BNOS1CDK2 | |
| SCHEMBL15519213 | 0.68 | CA2 (0.38) | TNK2IGF1RNTRK1CDK2NTRK2 | |
| SCHEMBL15509016 | 0.68 | CA2 (0.38) | TNK2IGF1RNTRK1CDK2NTRK2 | |
| SCHEMBL24288138 | 0.66 | MAPK8 (0.47) | IGF1R | |
| SCHEMBL22010188 | 0.65 | MALT1 (0.37) | IL1BMALT1POLR1ANOS1 | |
| SCHEMBL21610612 | 0.65 | MALT1 (0.37) | IL1BMALT1POLR1ANOS1 | |
| SCHEMBL18256577 | 0.65 | MALT1 (0.37) | IL1BMALT1POLR1ANOS1 | |
| SCHEMBL22654985 | 0.64 | IL1B (0.54) | IL1BMALT1POLR1A |
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-2022053823-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR | Cerevance, Inc. (US) | 2022-03-17 | — | — | WO | disclosed |