Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 4/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.47 |
| ▸ | HTR3B | O95264 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | SMO | Q99835 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL9683181 | 0.91 | KHK (0.57) | KHKADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL9682300 | 0.82 | GRIA1 (0.42) | KHKHTR1ARENALDH1A1KDM4E | |
| SCHEMBL9681219 | 0.81 | KHK (0.56) | KHKADRB1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL9681291 | 0.80 | KHK (0.55) | KHKADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL9682532 | 0.80 | KHK (0.51) | KHKADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL9683240 | 0.79 | KHK (0.50) | KHKHTR1AHTR6 | |
| SCHEMBL9681305 | 0.79 | KHK (0.47) | KHKHTR3AHTR1AHTR6KDM4E | |
| SCHEMBL9681244 | 0.72 | KHK (0.57) | KHKADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL31466148 | 0.70 | ADRB1 (0.60) | KHKADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL9680678 | 0.70 | KHK (0.51) | KHKADRB1HTR3EHTR3BHTR3A |
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 |