Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | HTR7 | P34969 | 6/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11465528 | 0.78 | SIGMAR1 (0.76) | SIGMAR1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL7680682 | 0.78 | SIGMAR1 (0.53) | SIGMAR1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL13875120 | 0.76 | SIGMAR1 (0.69) | SIGMAR1HTR7DRD2DRD3ALDH1A1 | |
| SCHEMBL13875122 | 0.75 | SIGMAR1 (0.71) | SIGMAR1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL7677748 | 0.74 | SIGMAR1 (0.54) | SIGMAR1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL7044652 | 0.74 | SIGMAR1 (0.69) | SIGMAR1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL1253143 | 0.74 | SIGMAR1 (0.69) | SIGMAR1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL9559659 | 0.74 | SIGMAR1 (0.69) | SIGMAR1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL2090542 | 0.74 | SIGMAR1 (0.69) | SIGMAR1HTR7DRD2ADRA1ADRD3 | |
| SCHEMBL11405931 | 0.74 | SIGMAR1 (0.69) | SIGMAR1HTR7DRD2DRD3ALDH1A1 |
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 |