Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 7/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2710715 | 0.89 | KHK (0.54) | KHKHTR3AHTR6HTR2CKDM4E | |
| Hydrochloric Acid SCHEMBL9681346 | 0.87 | KHK (0.53) | KHKHTR3AHTR6HTR2CKDM4E | |
| SCHEMBL9681327 | 0.86 | KHK (0.47) | KHKHTR6HTR2CHRH4KDM4E | |
| SCHEMBL9683240 | 0.86 | KHK (0.50) | KHKHTR6HTR7HRH4HRH3 | |
| SCHEMBL9681867 | 0.86 | KHK (0.53) | KHKHTR3AHTR2C | |
| SCHEMBL9681720 | 0.86 | KHK (0.47) | KHKHTR3AHTR6HTR2CKDM4E | |
| SCHEMBL9682489 | 0.86 | HTR6 (0.47) | KHKHTR3AHTR6HTR2CHRH4 | |
| SCHEMBL9682462 | 0.86 | KHK (0.44) | KHKHTR3AHTR6HTR7HTR2C | |
| Hydrochloric Acid SCHEMBL9680719 | 0.85 | KHK (0.52) | KHKHTR3AHTR2CHTR1AKDM4E | |
| Hydrochloric Acid SCHEMBL9680573 | 0.85 | HTR6 (0.46) | KHKHTR3AHTR6HTR2CHRH4 |
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 |