Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetamide SCHEMBL1095834 | 0.84 | HSD17B10 (0.40) | HSD17B10 | |
| SCHEMBL30169490 | 0.83 | ADRA1A (0.43) | ADRA1ATAAR1IDO1AOC3HSD17B10 | |
| SCHEMBL3651637 | 0.83 | ADRA1A (0.43) | ADRA1ATAAR1IDO1AOC3HSD17B10 | |
| SCHEMBL13802275 | 0.82 | ADRA1A (0.48) | ADRA1ATAAR1IDO1AOC3HMGCR | |
| SCHEMBL10411871 | 0.80 | HTR2A (0.55) | AOC3HTR2A | |
| SCHEMBL8230324 | 0.80 | HTR2A (0.54) | ADRA1ATAAR1HTR2A | |
| Hydrochloric Acid SCHEMBL10412386 | 0.79 | HTR2A (0.54) | AOC3HTR2A | |
| SCHEMBL24079178 | 0.78 | ADRA1A (0.46) | ADRA1ATAAR1IDO1AOC3APLNR | |
| SCHEMBL8824014 | 0.78 | KDM4E (0.46) | ADRA1ATAAR1IDO1HSD17B10HTR2A | |
| SCHEMBL13039484 | 0.78 | ADRA1A (0.46) | ADRA1ATAAR1IDO1AOC3HMGCR |
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 2 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 |
| EP-0146271-A2 | Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives | McNeilab, Inc. (US) | 1985-06-26 | — | — | EP | disclosed |