Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 SCHEMBL30838076 | 0.99 | CHRNB4 (0.42) | CHRNB4CHRNA3HTR6CHRM3HTR1A | |
| SCHEMBL24288061 | 0.87 | CHRNB4 (0.40) | CHRNB4CHRNA3HTR6CHRM3HTR1A | |
| SCHEMBL24288146 | 0.85 | HRH4 (0.42) | CHRNB4CHRNA3HRH4CHRNB1CHRNB2 | |
| SCHEMBL24288142 | 0.85 | HRH4 (0.41) | CHRNB4CHRNA3CHRM3HTR1AHTR1B | |
| Hydrochloric Acid SCHEMBL30837992 | 0.84 | HRH4 (0.40) | CHRNB4CHRNA3CHRM3HTR1AHTR1B | |
| SCHEMBL24288092 | 0.79 | JAK1 (0.44) | CHRNB4CHRNA3HRH4CHRNB1CHRNB2 | |
| Hydrochloric Acid SCHEMBL30838074 | 0.78 | JAK1 (0.44) | CHRNB4CHRNA3HRH4CHRNB1CHRNB2 | |
| Hydrochloric Acid SCHEMBL30838079 | 0.78 | NMT1 (0.51) | CHRNB4CHRNA3CHRM3ACP1HRH4 | |
| Hydrochloric Acid SCHEMBL30838034 | 0.75 | JAK1 (0.41) | CHRNB4CHRNA3HRH4CHRNB1CHRNB2 | |
| Hydrochloric Acid SCHEMBL30838046 | 0.73 | GPR6 (0.37) | HRH4JAK1JAK2JAK3ALDH1A1 |
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 |