Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY4 | P51582 | 1/20 | 0.56 |
| ▸ | FABP3 | P05413 | 1/20 | 0.53 |
| ▸ | FABP4 | P15090 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 2/20 | 0.52 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.51 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 4/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30294653 | 1.00 | P2RY4 (0.56) | P2RY4FABP3FABP4MPOFTO | |
| SCHEMBL22852994 | 0.92 | DHODH (0.56) | P2RY4FABP3FABP4DHODHMEN1 | |
| SCHEMBL30294529 | 0.92 | DHODH (0.56) | P2RY4FABP3FABP4DHODHMEN1 | |
| SCHEMBL5676416 | 0.90 | IDO1 (0.62) | P2RY4FABP3FABP4MPOFTO | |
| SCHEMBL22852993 | 0.90 | KDM4E (0.54) | P2RY4FABP3FABP4MPOFTO | |
| SCHEMBL30294397 | 0.90 | KDM4E (0.54) | P2RY4FABP3FABP4MPOFTO | |
| SCHEMBL9000255 | 0.89 | FABP3 (0.61) | P2RY4FABP3FABP4MPOFTO | |
| SCHEMBL22853331 | 0.89 | AKR1C3 (0.59) | P2RY4FABP3FABP4MPOFTO | |
| SCHEMBL30294672 | 0.89 | AKR1C3 (0.59) | P2RY4FABP3FABP4MPOFTO | |
| SCHEMBL22853121 | 0.89 | IDO1 (0.48) | P2RY4FABP3FABP4MPOFTO |
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-2020261114-A1 | 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-12-30 | — | — | WO | disclosed |