Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.52 |
| ▸ | HTR3B | O95264 | 4/20 | 0.52 |
| ▸ | HTR3A | P46098 | 4/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27702488 | 0.78 | GRM1 (0.54) | CYP2D6TSHRALDH1A1GRM1KDM4E | |
| SCHEMBL19049368 | 0.72 | NOTUM (0.42) | KMT2ACYP2D6TSHRALDH1A1L3MBTL1 | |
| SCHEMBL13715624 | 0.72 | NOTUM (0.42) | KMT2ACYP2D6TSHRALDH1A1L3MBTL1 | |
| SCHEMBL4354268 | 0.72 | TRPV1 (0.50) | — | |
| SCHEMBL3272049 | 0.71 | HTR3E (0.62) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Hydrochloric Acid SCHEMBL9130628 | 0.70 | HTR3E (0.60) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL3536632 | 0.70 | KMT2A (0.71) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL27759918 | 0.70 | GSK3B (0.42) | CYP1A2CYP2D6TSHRGRM1 | |
| SCHEMBL2383995 | 0.70 | HTR3A (1.00) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL29364707 | 0.70 | HTR3A (1.00) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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 |
|---|---|---|---|---|---|---|---|
| US-5447931-A | 6-Bromo-2-/4-methylpiperazinyl/pyridine and salts; drugs; treatment of disorders of serotoninergic system | SANOFI (FR) | 1995-09-05 | — | — | US | disclosed |
| EP-0580465-A1 | New therapeutic use of heterocyclic piperazines as 5-HT3 agonists and new derivatives | SANOFI (FR) | 1994-01-26 | — | — | EP | disclosed |