Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | IAPP | P10997 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.49 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317275 | 1.00 | TDP1 (0.56) | TDP1GLAIAPPPTGS1HDAC4 | |
| SCHEMBL10717371 | 0.88 | HSD17B3 (0.62) | TDP1HDAC4MEF2DMAPTKMT2A | |
| SCHEMBL8053440 | 0.86 | NPSR1 (0.57) | TDP1GLAHDAC4MEF2DMAPT | |
| SCHEMBL1423958 | 0.86 | NPSR1 (0.57) | TDP1GLAHDAC4MEF2DMAPT | |
| SCHEMBL14441060 | 0.83 | GLA (0.72) | TDP1GLAIAPPPTGS1HDAC4 | |
| SCHEMBL12425722 | 0.82 | HDAC4 (0.69) | HDAC4MEF2DHDAC3HDAC1HDAC7 | |
| SCHEMBL13486853 | 0.80 | CYP3A4 (0.53) | TDP1GLAIAPPPTGS1MAPT | |
| SCHEMBL782212 | 0.80 | HDAC4 (0.47) | IAPPHDAC4MEF2DMAPTKMT2A | |
| SCHEMBL782211 | 0.80 | HDAC4 (0.47) | IAPPHDAC4MEF2DMAPTKMT2A | |
| SCHEMBL2029091 | 0.78 | HSD17B3 (0.75) | TDP1GLAHDAC4MAPTKMT2A |
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 |