Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.47 |
| ▸ | HTR2C | P28335 | 5/20 | 0.47 |
| ▸ | HTR2B | P41595 | 5/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11484811 | 0.75 | BCHE (0.62) | HTR2AHTR2CHTR2BOPRM1DRD3 | |
| SCHEMBL10683486 | 0.73 | SIGMAR1 (0.57) | HTR2A | |
| SCHEMBL9518233 | 0.73 | DRD2 (0.67) | OPRM1DRD3DRD2OPRK1OPRD1 | |
| SCHEMBL7313447 | 0.73 | CYP3A4 (0.62) | HTR2AHTR2CHTR2BOPRM1DRD3 | |
| Hydrochloric Acid SCHEMBL7315814 | 0.72 | SIGMAR1 (0.56) | HTR2A | |
| SCHEMBL10411871 | 0.72 | HTR2A (0.55) | HTR2AHTR2CHTR2BHTR1ASLC6A2 | |
| SCHEMBL30169490 | 0.72 | ADRA1A (0.43) | HTR2AADRA1A | |
| SCHEMBL3651637 | 0.72 | ADRA1A (0.43) | HTR2AADRA1A | |
| Hydrochloric Acid SCHEMBL10412386 | 0.71 | HTR2A (0.54) | HTR2AHTR2CHTR2BHTR1ASLC6A2 | |
| Perchlorate SCHEMBL7325314 | 0.71 | HTR2A (0.47) | HTR2AMEN1KMT2A |
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-4742084-A | Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives | MCNEILAB, INC. (US) | 1988-05-03 | — | — | US | disclosed |
| US-4661635-A | ANTIARRHYTHMIA AGENTS | MCNEILAB, INC. (US) | 1987-04-28 | — | — | US | disclosed |
| EP-0146271-A2 | Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives | McNeilab, Inc. (US) | 1985-06-26 | — | — | EP | disclosed |