Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22222297 | 0.83 | KMT2A (0.66) | SMN1; SMN2POLBATMALDH1A1KDM4E | |
| SCHEMBL9825369 | 0.82 | KCNH2 (0.50) | SMN1; SMN2POLBATMKMT2AMEN1 | |
| SCHEMBL7435099 | 0.81 | ATM (0.76) | SMN1; SMN2POLBATMALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL7320769 | 0.81 | KCNH2 (0.49) | SMN1; SMN2POLBATMKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL11808765 | 0.80 | ATM (0.73) | SMN1; SMN2POLBATMALDH1A1KDM4E | |
| SCHEMBL9689514 | 0.78 | CA1 (0.65) | SMN1; SMN2POLBATMALDH1A1KDM4E | |
| SCHEMBL7313447 | 0.78 | CYP3A4 (0.62) | SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL4103249 | 0.77 | KDM4E (0.74) | SMN1; SMN2POLBATMALDH1A1KDM4E | |
| SCHEMBL7320574 | 0.77 | SLC2A1 (0.50) | SMN1; SMN2POLBATMALDH1A1KMT2A | |
| Perchlorate SCHEMBL7325314 | 0.76 | HTR2A (0.47) | POLBATMALDH1A1KMT2AMEN1 |
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 |