Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19564591 | 1.00 | RIPK1 (0.40) | RIPK1CTSBCTSSCTSKGLA | |
| SCHEMBL20622322 | 0.88 | SLC6A9 (0.37) | HTR2CSLC6A4L3MBTL1GPR88SLC6A9 | |
| SCHEMBL30439007 | 0.88 | OPRK1 (0.38) | HTR2CSLC6A4L3MBTL1GPR88SLC6A9 | |
| SCHEMBL19553555 | 0.87 | PTGES (0.43) | RIPK1GLANPSR1HCAR2PTGES | |
| SCHEMBL19553553 | 0.87 | PTGES (0.43) | RIPK1GLANPSR1HCAR2PTGES | |
| SCHEMBL30438319 | 0.84 | BACE1 (0.38) | GPR88FFAR1CACNA2D1 | |
| SCHEMBL29967235 | 0.84 | RIPK1 (0.40) | RIPK1CTSBCTSSCTSKHTR2C | |
| SCHEMBL29967239 | 0.84 | L3MBTL1 (0.38) | NPSR1HTR2CSLC6A4L3MBTL1GPR88 | |
| SCHEMBL20622324 | 0.83 | LIPG (0.36) | HTR2CSLC6A4L3MBTL1GPR88CACNA2D1 | |
| SCHEMBL21102737 | 0.83 | NPSR1 (0.40) | CTSSCTSKNPSR1L3MBTL1GPR88 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |
| EP-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |