Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 5/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.54 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.54 |
| ▸ | TAS2R14 | Q9NYV8 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ACLY | P53396 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30294413 | 1.00 | MPO (0.58) | MPOAKR1C3AKR1C2GRIK1TAS2R14 | |
| SCHEMBL4220015 | 0.89 | ACLY (0.55) | MPOAKR1C3AKR1C2GRIK1ACLY | |
| SCHEMBL28978590 | 0.88 | MPO (0.67) | MPOAKR1C3AKR1C2GRIK1TAS2R14 | |
| SCHEMBL4213878 | 0.86 | AKR1C3 (0.50) | MPOAKR1C3AKR1C2GRIK1TAS2R14 | |
| SCHEMBL4215604 | 0.86 | MAOB (0.53) | MPOAKR1C3AKR1C2GRIK1TAS2R14 | |
| SCHEMBL4215308 | 0.86 | MPO (0.59) | MPOAKR1C3AKR1C2GRIK1ACLY | |
| SCHEMBL4215608 | 0.86 | MAOB (0.53) | MPOAKR1C3AKR1C2GRIK1TAS2R14 | |
| SCHEMBL30294779 | 0.83 | MPO (0.55) | MPOAKR1C3AKR1C2GRIK1TAS2R14 | |
| SCHEMBL22852830 | 0.83 | MPO (0.55) | MPOAKR1C3AKR1C2GRIK1TAS2R14 | |
| SCHEMBL22852850 | 0.82 | MPO (0.54) | MPOAKR1C3AKR1C2GRIK1TAS2R14 |
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 |