Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17934171 | 0.79 | SMN1; SMN2 (0.49) | ALDH1A1KMT2AMEN1MAPTTDP1 | |
| SCHEMBL24732041 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL3897070 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HTR1AKMT2AMEN1 | |
| SCHEMBL29624960 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HTR1AHTR2BSIGMAR1 | |
| SCHEMBL2019104 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HTR1AHTR2BSIGMAR1 | |
| SCHEMBL2798576 | 0.72 | GAA (0.41) | ALDH1A1CYP3A4HTR1AHTR2BSIGMAR1 | |
| SCHEMBL12987305 | 0.72 | ALDH1A1 (0.40) | ALDH1A1KMT2AMEN1MAPTTDP1 | |
| SCHEMBL16406450 | 0.71 | HDAC3 (0.47) | ALDH1A1CYP3A4HTR1AKMT2AMEN1 | |
| SCHEMBL24329350 | 0.71 | HDAC1 (0.49) | ALDH1A1MAPTKDM4EGAASMN1; SMN2 | |
| SCHEMBL13728343 | 0.70 | PTGER4 (0.45) | ALDH1A1CYP3A4HTR1AHTR2BSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3245200-B1 | 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL)BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2021-03-10 | — | — | EP | disclosed |
| US-9981954-B2 | 2-(pyrazin-2-ylcarbonylaminomethyl) benzimidazolium compounds as epithelial sodium channel inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-05-29 | — | — | US | disclosed |
| WO-2016113168-A1 | 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL)BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-07-21 | — | — | WO | disclosed |