Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27095191 | 0.83 | KMO (0.36) | KMOALOX5APFEN1DPP4 | |
| SCHEMBL24288096 | 0.81 | RPS6KA3 (0.44) | KMOHDAC1HDAC2ALOX5APFEN1 | |
| SCHEMBL27625630 | 0.80 | NSD2 (0.39) | ADRA2AADRA2CHDAC1ALOX5APFEN1 | |
| SCHEMBL24288255 | 0.77 | USP2 (0.42) | ALOX5APFEN1DPP4MAPK14 | |
| SCHEMBL24288152 | 0.77 | RPS6KA3 (0.47) | ALOX5APFEN1MAPK14 | |
| SCHEMBL17813814 | 0.74 | POLQ (0.40) | KMOHDAC1HDAC2DPP4GABRG2 | |
| SCHEMBL30160394 | 0.73 | GRM2 (0.36) | ROS1DPP4MAPK14DHODH | |
| SCHEMBL24009652 | 0.73 | GRM2 (0.36) | ROS1DPP4MAPK14DHODH | |
| SCHEMBL9135463 | 0.72 | ALDH1A1 (0.52) | KMO | |
| SCHEMBL4754291 | 0.71 | JAK3 (0.44) | KMOGABRG2GABRB3GABRA5GABRA3 |
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 |