Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 16/20 | 0.57 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9683240 | 0.92 | KHK (0.50) | KHK | |
| SCHEMBL9682532 | 0.90 | KHK (0.51) | KHKHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL9681202 | 0.85 | SCN9A (0.44) | KHKHTR3A | |
| SCHEMBL9680691 | 0.85 | KHK (0.57) | KHKHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL9681273 | 0.85 | KHK (0.57) | KHKHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL9680590 | 0.85 | KHK (0.58) | KHKHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9681305 | 0.84 | KHK (0.47) | KHKHTR3A | |
| SCHEMBL2710715 | 0.84 | KHK (0.54) | KHKHTR3EHTR3BADRB1HTR3A | |
| Hydrochloric Acid SCHEMBL9682507 | 0.84 | KHK (0.57) | KHKHTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL9681879 | 0.84 | KHK (0.56) | KHKHTR3EHTR3BADRB1HTR3A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4999356-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-03-12 | — | — | US | claimed |
| 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 |