Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10686484 | 0.83 | STAT3 (0.44) | STAT3SMN1; SMN2KMT2ACDK8CLK4 | |
| SCHEMBL7323264 | 0.71 | CDK8 (0.58) | STAT3SMN1; SMN2KMT2ACDK8CLK4 | |
| SCHEMBL9717812 | 0.70 | KMT2A (0.56) | KMT2ACDK8CLK4MEN1CYP1A2 | |
| SCHEMBL14276933 | 0.70 | CYP3A4 (0.66) | SMN1; SMN2KMT2ACDK8CLK4MEN1 | |
| SCHEMBL3345442 | 0.69 | CYP1A2 (0.64) | SMN1; SMN2KMT2ACDK8CLK4MEN1 | |
| SCHEMBL10879740 | 0.68 | CDK8 (0.67) | KMT2ACDK8CLK4MEN1CYP1A2 | |
| SCHEMBL14679320 | 0.67 | CYP3A4 (0.60) | SMN1; SMN2KMT2ACDK8CLK4MEN1 | |
| SCHEMBL1586895 | 0.67 | NPC1 (0.62) | KMT2ACDK8CLK4MEN1CYP1A2 | |
| SCHEMBL30465890 | 0.67 | NPC1 (0.62) | KMT2ACDK8CLK4MEN1CYP1A2 | |
| SCHEMBL9394586 | 0.67 | CDK8 (0.56) | SMN1; SMN2KMT2ACDK8CLK4MEN1 |
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 |