Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.39 |
| ▸ | HTR3B | O95264 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5088449 | 0.80 | CCR1 (0.39) | KMT2APARP1ALDH1A1HTR2AHTR2C | |
| SCHEMBL7334314 | 0.77 | KDM4E (0.39) | MEN1CYP1A2KMT2APARP1ALDH1A1 | |
| SCHEMBL29736540 | 0.73 | CHRNB2 (0.46) | MEN1CYP1A2KMT2AHTR3EHTR3B | |
| SCHEMBL23089447 | 0.73 | CHRNB2 (0.46) | MEN1CYP1A2KMT2AHTR3EHTR3B | |
| SCHEMBL20993216 | 0.72 | DDB1 (0.37) | CYP1A2KMT2APARP1ALDH1A1 | |
| SCHEMBL20993362 | 0.72 | DDB1 (0.37) | CYP1A2KMT2APARP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31224453 | 0.72 | SLC6A3 (0.33) | PARP1HTR3AKCNH2PDGFRB | |
| SCHEMBL987383 | 0.72 | DDB1 (0.37) | CYP1A2KMT2APARP1ALDH1A1 | |
| SCHEMBL9733257 | 0.72 | CYP3A4 (0.41) | MEN1CYP1A2KMT2APARP1HTR3E | |
| SCHEMBL13490494 | 0.72 | DRD2 (0.44) | MEN1CYP1A2KMT2AHTR3AKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0580465-A1 | New therapeutic use of heterocyclic piperazines as 5-HT3 agonists and new derivatives | SANOFI (FR) | 1994-01-26 | — | — | EP | claimed |
| 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 |