Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 9/20 | 0.52 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9778562 | 0.88 | MAPT (0.50) | HTR1AHTR2AHTR2CHRH1DRD2 | |
| SCHEMBL11822249 | 0.78 | MEN1 (0.61) | HTR1ADRD2ADRA2AADRA2BADRA2C | |
| SCHEMBL9778478 | 0.78 | HTR7 (0.63) | HTR1AHTR2AHTR2CHRH1DRD2 | |
| SCHEMBL9778418 | 0.76 | LRRK2 (0.61) | — | |
| SCHEMBL11825414 | 0.75 | DRD2 (0.61) | HTR1AHTR2AHTR2CHRH1DRD2 | |
| SCHEMBL11249964 | 0.74 | HTR1A (0.51) | HTR1AHTR2A | |
| SCHEMBL11520036 | 0.74 | HTR1D (0.62) | HTR1AHTR2AHTR2CHRH1DRD2 | |
| Hydrochloric Acid SCHEMBL10896178 | 0.73 | HTR1A (0.50) | HTR1AHTR2A | |
| SCHEMBL10414870 | 0.72 | HTR1A (0.48) | HTR1AADRA2AADRA2BADRA2CKCNH2 | |
| SCHEMBL11226070 | 0.72 | HTR1D (0.51) | HTR1ASLC6A2HTR1DHTR6ALDH1A1 |
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-4954503-A | ANALGESIC, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1990-09-04 | — | — | US | claimed |
| US-5077405-A | Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-12-31 | — | — | US | disclosed |
| EP-0417653-A1 | 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4954503-A | ANALGESIC, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1990-09-04 | — | — | US | disclosed |