Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 6/20 | 0.43 |
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | PPARA | Q07869 | 7/20 | 0.43 |
| ▸ | PPARG | P37231 | 6/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGAV | P06756 | 1/20 | 0.43 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31407438 | 0.83 | ACE (0.55) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL31407522 | 0.83 | ACE (0.55) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL9499340 | 0.81 | ACE (0.49) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL10658682 | 0.81 | ACE (0.49) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL16366761 | 0.80 | ACE (0.49) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL8717972 | 0.80 | SCN9A (0.49) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL8717966 | 0.80 | SCN9A (0.49) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL19329712 | 0.79 | CTSS (0.54) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL19329718 | 0.79 | CTSS (0.54) | ACEITGB3ITGA2BCTSSCTSK | |
| SCHEMBL29162508 | 0.77 | PTPN1 (0.56) | ACEITGB3ITGA2BCTSSCTSK |
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-2017191650-A1 | PROCESS FOR THE PREPARATION OF 5-[[[(2S)-2-AMINO-3-[4-(AMINOCARBONYL)-2,6-DIMETHYLPHENYL]-1-OXOPROPYL][(1S)-1-(4-PHENYL-1H-IMIDAZOL-2-YL)ETHYL]AMINO]METHYL-2-METHOXYBENZOIC ACID AND ITS POLYMORPHS THEREOF | MSN LABORATORIES PRIVATE LIMITED (IN) | 2017-11-09 | — | — | WO | claimed |