Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 6/20 | 0.45 |
| ▸ | DRD3 | P35462 | 6/20 | 0.45 |
| ▸ | DRD4 | P21917 | 5/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
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 | 0.88 | SIGMAR1 (0.47) | SIGMAR1HTR1ADRD2PARP1 | |
| SCHEMBL9536484 | 0.88 | SIGMAR1 (0.47) | SIGMAR1HTR1ADRD2PARP1 | |
| SCHEMBL9536655 | 0.85 | DRD2 (0.41) | SIGMAR1HTR1ADRD2DRD3DRD4 | |
| SCHEMBL9535704 | 0.77 | KDM4E (0.59) | HTR1ADRD2DRD3 | |
| SCHEMBL10855215 | 0.73 | DRD2 (0.52) | HTR1ADRD2DRD3DRD4 | |
| SCHEMBL9536766 | 0.71 | ALDH1A1 (0.42) | SIGMAR1DRD2DRD3 | |
| SCHEMBL9537473 | 0.70 | KDM4E (0.46) | HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL8593986 | 0.70 | GRIN2B (0.55) | SIGMAR1HTR1ADRD2DRD3DRD4 | |
| SCHEMBL6162058 | 0.69 | SIGMAR1 (0.60) | SIGMAR1HTR1AKCNA3 | |
| SCHEMBL9538643 | 0.69 | KDM4E (0.45) | SIGMAR1HTR1ADRD2DRD3DRD4 |
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 |