Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7325376 | 0.86 | CDK8 (0.61) | CDK8CLK4RAB9ANPC1L3MBTL1 | |
| SCHEMBL7356879 | 0.86 | CDK8 (0.61) | CDK8CLK4RAB9ANPC1L3MBTL1 | |
| Oxalic Acid SCHEMBL7322554 | 0.82 | CYP3A4 (0.51) | L3MBTL1ALDH1A1KMT2AMEN1CYP1A2 | |
| SCHEMBL3999705 | 0.76 | CDK8 (0.74) | CDK8CLK4RAB9ANPC1L3MBTL1 | |
| SCHEMBL8789349 | 0.74 | CDK8 (0.72) | CDK8CLK4RAB9ANPC1L3MBTL1 | |
| SCHEMBL10879740 | 0.73 | CDK8 (0.67) | CDK8CLK4RAB9ANPC1L3MBTL1 | |
| SCHEMBL9426326 | 0.72 | CDK8 (0.68) | CDK8CLK4RAB9ANPC1L3MBTL1 | |
| SCHEMBL7809238 | 0.71 | CDK8 (0.64) | CDK8CLK4RAB9ANPC1L3MBTL1 | |
| SCHEMBL8790387 | 0.71 | CDK8 (0.67) | CDK8CLK4RAB9ANPC1L3MBTL1 | |
| SCHEMBL7323271 | 0.71 | STAT3 (0.47) | CDK8CLK4L3MBTL1ALDH1A1KMT2A |
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 |