Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537905 | 0.89 | SIGMAR1 (0.47) | SIGMAR1HTR1ADRD2PARP1 | |
| SCHEMBL9537328 | 0.88 | SIGMAR1 (0.46) | SIGMAR1HTR1ADRD2PARP1 | |
| SCHEMBL9536655 | 0.79 | DRD2 (0.41) | SIGMAR1HTR1ADRD2PARP1 | |
| SCHEMBL10573135 | 0.70 | SIGMAR1 (0.48) | SIGMAR1HTR1APARP1 | |
| SCHEMBL9536766 | 0.69 | ALDH1A1 (0.42) | SIGMAR1DRD2 | |
| SCHEMBL28058024 | 0.69 | SIGMAR1 (0.58) | SIGMAR1HTR1APPARGPPARADRD2 | |
| SCHEMBL9537473 | 0.68 | KDM4E (0.46) | HTR1ADRD2 | |
| SCHEMBL11938943 | 0.68 | SIGMAR1 (0.65) | SIGMAR1HTR1APPARGPPARADRD2 | |
| SCHEMBL6626009 | 0.68 | SIGMAR1 (0.65) | SIGMAR1HTR1ADRD2PARP1 | |
| SCHEMBL5846298 | 0.68 | SIGMAR1 (0.68) | SIGMAR1HTR1ADRD2PARP1 |
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-0254623-B1 | AMINOALKYLTHIO TRIAZOLOPYRIDINE OR TRIAZOLOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, PARTICULARLY USEFUL AS ANTALGICS | LABORATOIRES UPSA (FR) | 1993-06-09 | — | — | EP | disclosed |
| EP-0254623-A1 | Aminoalkylthio triazolopyridine or triazoloquinoline derivatives, process for their preparation, medicaments containing them, particularly useful as antalgics | LABORATOIRES UPSA (FR) | 1988-01-27 | — | — | EP | disclosed |