Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 15/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9681244 | 0.92 | KHK (0.57) | KHK | |
| SCHEMBL9683181 | 0.87 | KHK (0.57) | KHKHTR1A | |
| SCHEMBL9681305 | 0.86 | KHK (0.47) | KHKHRH4HRH3HTR1AHTR7 | |
| SCHEMBL9682530 | 0.84 | KHK (0.51) | KHKHRH4HTR6 | |
| SCHEMBL9681202 | 0.82 | SCN9A (0.44) | KHKHTR1AHTR7HTR6 | |
| SCHEMBL9682300 | 0.82 | GRIA1 (0.42) | KHKHRH4HRH3HTR1AHTR7 | |
| SCHEMBL9682532 | 0.82 | KHK (0.51) | KHKHTR1AHTR7HTR2BHTR6 | |
| SCHEMBL8128906 | 0.81 | HRH4 (0.44) | KHKHRH4HRH3HTR1AHTR7 | |
| SCHEMBL9682493 | 0.80 | ADRB1 (0.50) | KHKHRH4HRH3HTR1AHTR7 | |
| SCHEMBL9681919 | 0.79 | KHK (0.52) | KHKHTR1AHTR6 |
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 |