Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 2/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9210269 | 0.88 | HTT (0.47) | SLC2A1MTNR1AMTNR1BADRB2SMN1; SMN2 | |
| SCHEMBL9824451 | 0.85 | SLC2A1 (0.52) | SLC2A1MTNR1AMTNR1BADRB2SMN1; SMN2 | |
| SCHEMBL7321263 | 0.84 | CYP1A2 (0.55) | SMN1; SMN2SMPD1ALDH1A1KMT2AMEN1 | |
| SCHEMBL7314273 | 0.83 | MTNR1B (0.55) | SLC2A1MTNR1AMTNR1BSIGMAR1KMT2A | |
| SCHEMBL10593444 | 0.80 | KMT2A (0.62) | ADRB2ADRB1ADRB3KMT2AATM | |
| Hydrochloric Acid SCHEMBL7323113 | 0.80 | SMPD1 (0.55) | MTNR1AMTNR1BSMN1; SMN2SMPD1KMT2A | |
| SCHEMBL9218599 | 0.79 | CYP1A2 (0.41) | MTNR1AMTNR1BSIGMAR1SMPD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7311252 | 0.78 | BLM (0.42) | MTNR1AMTNR1BSIGMAR1SMPD1ALDH1A1 | |
| SCHEMBL7318305 | 0.78 | SMPD1 (0.43) | SIGMAR1SMPD1ALDH1A1KMT2AMEN1 | |
| Fumaric Acid SCHEMBL7356000 | 0.78 | CYP3A4 (0.47) | MTNR1AMTNR1BSMPD1ALDH1A1KMT2A |
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 |