Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | SMPD1 | P17405 | 6/20 | 0.47 |
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | HTR2C | P28335 | 4/20 | 0.46 |
| ▸ | HTR2B | P41595 | 4/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7320927 | 0.94 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| Hydrochloric Acid SCHEMBL7323113 | 0.89 | SMPD1 (0.55) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL7321263 | 0.85 | CYP1A2 (0.55) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL10685533 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL10684862 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL10685169 | 0.83 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL10689516 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL10682239 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL10684404 | 0.80 | SMPD1 (0.54) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL10680298 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2D6PMP22BLM |
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 |