Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9681936 | 0.99 | ADRB1 (0.56) | ADRB1CYP1A2CYP2D6CYP3A4HSD17B10 | |
| SCHEMBL9682493 | 0.85 | ADRB1 (0.50) | ADRB1CYP1A2CYP2D6CYP3A4HSD17B10 | |
| SCHEMBL9681356 | 0.84 | DRD2 (0.47) | CYP1A2CYP2D6CYP3A4HSD17B10MAPT | |
| SCHEMBL9683176 | 0.84 | SCN9A (0.48) | CYP1A2CYP2D6HSD17B10MAPTHTR1A | |
| Hydrochloric Acid SCHEMBL9683227 | 0.83 | DRD2 (0.46) | CYP1A2CYP2D6CYP3A4HSD17B10MAPT | |
| Hydrochloric Acid SCHEMBL9681905 | 0.83 | SCN9A (0.47) | CYP1A2CYP2D6HSD17B10MAPTHTR1A | |
| SCHEMBL2710715 | 0.80 | KHK (0.54) | ADRB1MAPTHTR6HTR3AHTR3E | |
| Hydrochloric Acid SCHEMBL9681346 | 0.79 | KHK (0.53) | ADRB1MAPTHTR6HTR3AHTR3E | |
| SCHEMBL9680660 | 0.79 | PTGER1 (0.43) | MAPTMEN1KMT2ADRD2HTR1A | |
| SCHEMBL9683217 | 0.77 | SCN9A (0.42) | MAPTHTR1AHTR6HTR7HTR2A |
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 |