Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.64 |
| ▸ | DRD2 | P14416 | 2/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.64 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.64 |
| ▸ | HRH1 | P35367 | 1/20 | 0.64 |
| ▸ | HTR2B | P41595 | 1/20 | 0.64 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11847083 | 0.87 | DRD2 (0.66) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| Hydrochloric Acid SCHEMBL11838009 | 0.84 | KCNH2 (0.61) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| SCHEMBL11681786 | 0.82 | KCNH2 (0.46) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| SCHEMBL11841119 | 0.80 | DRD2 (0.56) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| SCHEMBL11680222 | 0.79 | ALDH1A1 (0.42) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| Oxypertine SCHEMBL2463001 | 0.78 | DRD2 (1.00) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| Oxypertine SCHEMBL31153315 | 0.78 | DRD2 (1.00) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| Oxypertine SCHEMBL1515 | 0.78 | DRD2 (1.00) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| Hydrochloric Acid SCHEMBL11840245 | 0.78 | NR1I2 (0.54) | HTR1ADRD2NR1I2ADRB1ADRA2A | |
| Oxypertine SCHEMBL21268763 | 0.78 | HTR1A (0.94) | HTR1ADRD2NR1I2ADRB1ADRA2A |
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-4024258-A | Composition of and method for reducing hypertension with a 1-[1-(indol-3-ylethyl)-piperazin-4-yl]-3-substituted urea | AMERICAN HOECHST CORPORATION (US) | 1977-05-17 | — | — | US | claimed |
| US-3948918-A | HYPOTENSIVE | AMERICAN HOECHST CORPORATION (US) | 1976-04-06 | — | — | US | claimed |
| US-4024258-A | Composition of and method for reducing hypertension with a 1-[1-(indol-3-ylethyl)-piperazin-4-yl]-3-substituted urea | AMERICAN HOECHST CORPORATION (US) | 1977-05-17 | — | — | US | disclosed |