Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | UTS2R | Q9UKP6 | 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 | |
|---|---|---|---|---|
| SCHEMBL29967239 | 0.83 | L3MBTL1 (0.38) | NPSR1GPR88SLC6A9GBA1KDM4E | |
| SCHEMBL21102741 | 0.83 | SLC6A9 (0.46) | NPSR1GPR88SLC6A9 | |
| SCHEMBL21102738 | 0.83 | SLC6A9 (0.46) | NPSR1GPR88SLC6A9 | |
| SCHEMBL21102739 | 0.83 | SLC6A9 (0.46) | NPSR1GPR88SLC6A9 | |
| SCHEMBL19564591 | 0.83 | RIPK1 (0.40) | NPSR1CTSSCTSKGPR88SLC6A9 | |
| SCHEMBL21747667 | 0.83 | RIPK1 (0.40) | NPSR1CTSSCTSKGPR88SLC6A9 | |
| SCHEMBL30439007 | 0.79 | OPRK1 (0.38) | GPR88SLC6A9L3MBTL1 | |
| SCHEMBL20622322 | 0.79 | SLC6A9 (0.37) | GPR88SLC6A9L3MBTL1PDK2 | |
| SCHEMBL2189394 | 0.77 | TAAR1 (0.54) | NPSR1CTSSCTSKTSHRGBA1 | |
| SCHEMBL30438319 | 0.76 | BACE1 (0.38) | GPR88UTS2R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |
| WO-2019180189-A1 | AMINOPROPOXYPHENYL AND BENZYL 3,4-DIHYDRO-2H-SPIRO[ISOQUINOLINE-1,4'-PIPERIDIN]-1'-YL DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-09-26 | — | — | WO | disclosed |
| WO-2019115008-A1 | DIALKYLAMINOARYLPIPERIDINYL-O-PHENOXY AND O-BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-06-20 | — | — | WO | disclosed |
| WO-2019110137-A1 | O-PHENOXY AND O-BENZYLOXYPROPYLAMINO DERIVATIVES HAVING ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-06-13 | — | — | WO | disclosed |