Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.48 |
| ▸ | KHK | P50053 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682515 | 0.86 | ADRB1 (0.57) | HTR1AHTR7ADRB1SIRT6KHK | |
| SCHEMBL9680678 | 0.80 | KHK (0.51) | HTR1AHTR7ADRB1KHKCA9 | |
| SCHEMBL9682532 | 0.80 | KHK (0.51) | HTR1AHTR7ADRB1KHKHTR3E | |
| SCHEMBL2710715 | 0.79 | KHK (0.54) | ADRB1KHKHTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL9681346 | 0.78 | KHK (0.53) | ADRB1KHKHTR3EHTR3BHTR3A | |
| SCHEMBL9683199 | 0.77 | HTR1D (0.51) | ADRB1KHKHTR3EHTR3BALDH1A1 | |
| SCHEMBL7114374 | 0.75 | ALDH1A1 (0.52) | CA9CA12ALDH1A1 | |
| SCHEMBL3649707 | 0.75 | L3MBTL1 (0.50) | CA9CA12ALDH1A1 | |
| SCHEMBL9681273 | 0.72 | KHK (0.57) | HTR1AHTR7ADRB1KHKHTR3E | |
| SCHEMBL9680691 | 0.72 | KHK (0.57) | ADRB1KHKHTR3EHTR3BHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| US-5134236-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-07-28 | — | — | US | disclosed |
| US-4999356-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-03-12 | — | — | US | disclosed |
| EP-0302423-A2 | 1-Phenyl-3-(1-piperazinyl)-1h-indazoles, a process and intermediates for their preparation, and the use thereof as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-02-08 | — | — | EP | disclosed |