Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.40 |
| ▸ | NMT1 | P30419 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.39 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.39 |
| ▸ | IDH2 | P48735 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30838074 | 0.99 | JAK1 (0.44) | JAK1HRH4JAK2CCNE1CDK2 | |
| SCHEMBL24288146 | 0.93 | HRH4 (0.42) | JAK1HRH4JAK2JAK3CHRNB4 | |
| Hydrochloric Acid SCHEMBL30838034 | 0.87 | JAK1 (0.41) | JAK1HRH4JAK2JAK3CHRNB4 | |
| Hydrochloric Acid SCHEMBL30838021 | 0.85 | JAK1 (0.39) | JAK1HRH4JAK2CCNE1CDK2 | |
| SCHEMBL27095173 | 0.83 | PRKCQ (0.50) | JAK1HRH4JAK2CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL30838056 | 0.83 | PRKCQ (0.49) | JAK1HRH4JAK2CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL30838029 | 0.80 | POLB (0.39) | JAK1HRH4JAK2CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL30838079 | 0.80 | NMT1 (0.51) | HRH4CHRNB4CHRNA3NMT1CHRNB1 | |
| SCHEMBL24288142 | 0.80 | HRH4 (0.41) | JAK1HRH4JAK2JAK3CHRNB4 | |
| SCHEMBL24288253 | 0.79 | CHRNB4 (0.42) | JAK1HRH4JAK2JAK3CHRNB4 |
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 |