Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7318305 | 0.88 | SMPD1 (0.43) | ACACBAOC3CYP3A4CYP2D6MEN1 | |
| SCHEMBL9218599 | 0.80 | CYP1A2 (0.41) | AOC3CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL10686888 | 0.79 | CYP3A4 (0.40) | AOC3CYP3A4ABCB1ABCC1CYP2C19 | |
| Hydrochloric Acid SCHEMBL7311252 | 0.79 | BLM (0.42) | AOC3CYP3A4CYP2D6MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7349845 | 0.78 | MEN1 (0.43) | ACACBCYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL10688197 | 0.78 | KMT2A (0.41) | AOC3CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL10738517 | 0.77 | SIGMAR1 (0.42) | ACACBAOC3KCNH2 | |
| SCHEMBL7316655 | 0.76 | SIGMAR1 (0.42) | ACACBMEN1KMT2AKCNH2HTR2A | |
| SCHEMBL10687447 | 0.76 | CYP3A4 (0.49) | AOC3CYP3A4CYP2C19CYP2D6MEN1 | |
| Oxalic Acid SCHEMBL7318269 | 0.75 | PTGES (0.46) | ACACBMEN1KMT2ATSHRLMNA |
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 |