Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9535966 | 0.76 | MAPT (0.45) | DRD2GRIN2B | |
| SCHEMBL9540523 | 0.76 | HTR1A (0.48) | ALDH1A1DRD2DRD3SIGMAR1HRH2 | |
| SCHEMBL9537473 | 0.74 | KDM4E (0.46) | ALDH1A1KDM4EDRD2LMNARAB9A | |
| SCHEMBL9538643 | 0.74 | KDM4E (0.45) | ALDH1A1KDM4ECYP2D6DRD2DRD3 | |
| SCHEMBL9535969 | 0.74 | AR (0.48) | ALDH1A1DRD2DRD3LMNAGRIN2B | |
| SCHEMBL10646895 | 0.74 | DRD2 (0.49) | DRD2DRD3SIGMAR1 | |
| SCHEMBL10863307 | 0.73 | SIGMAR1 (0.41) | ALDH1A1KDM4EALOX15CYP2D6LTA4H | |
| SCHEMBL28070630 | 0.72 | ADRA1B (0.46) | DRD2DRD3SIGMAR1 | |
| SCHEMBL13750213 | 0.72 | ALDH1A1 (0.36) | ALDH1A1ALOX15CYP2D6CYP1A2TSHR | |
| SCHEMBL9537328 | 0.71 | SIGMAR1 (0.46) | DRD2DRD3SIGMAR1 |
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 |