Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | EBP | Q15125 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7311252 | 0.99 | BLM (0.42) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL7318305 | 0.91 | SMPD1 (0.43) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL7321263 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| Hydrochloric Acid SCHEMBL7323113 | 0.82 | SMPD1 (0.55) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL9210269 | 0.82 | HTT (0.47) | MTNR1AMTNR1BMEN1KMT2A | |
| SCHEMBL10411855 | 0.81 | MTNR1A (0.44) | MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL7349845 | 0.81 | MEN1 (0.43) | CYP1A2CYP3A4CYP2D6BLMKDM4E | |
| SCHEMBL7312137 | 0.80 | ACACB (0.40) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL7322670 | 0.80 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| Fumaric Acid SCHEMBL7356000 | 0.80 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2D6BLMPMP22 |
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 6 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 | claimed |
| EP-0283309-B1 | 1,2-1,4 Addition reaction sequence leading to diphenylacetylenes | MCNEILAB INC (US) | 1995-02-15 | — | — | EP | disclosed |
| EP-0250254-B1 | CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION | McNeilab, Inc. (US) | 1991-06-19 | — | — | EP | disclosed |
| EP-0283309-A2 | 1,2-1,4 Addition reaction sequence leading to diphenylacetylenes | McNeilab, Inc. (US) | 1988-09-21 | — | — | EP | disclosed |
| US-4772755-A | 1,2-1,4 addition reaction sequence leading to disubstituted acelylenes | MCNEILAB, INC. (US) | 1988-09-20 | — | — | US | disclosed |
| EP-0250254-A1 | Cis & trans stilbenes and their composition for the treatment of hypertension | McNeilab, Inc. (US) | 1987-12-23 | — | — | EP | disclosed |