Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.80 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.80 |
| ▸ | TSHR | P16473 | 5/20 | 0.80 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.80 |
| ▸ | USP2 | O75604 | 4/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.80 |
| ▸ | MEN1 | O00255 | 4/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.71 |
| ▸ | USP1 | O94782 | 3/20 | 0.71 |
| ▸ | WDR48 | Q8TAF3 | 3/20 | 0.71 |
| ▸ | POLB | P06746 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | APEX1 | P27695 | 1/20 | 0.70 |
| ▸ | CASP7 | P55210 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL4091164 | 0.87 | PDE5A (0.65) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL1083874 | 0.83 | MAPK1 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL1084041 | 0.83 | KMT2A (1.00) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL1083949 | 0.83 | KMT2A (0.71) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL28805460 | 0.83 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL13300259 | 0.82 | CYP1A2 (0.71) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL1083763 | 0.81 | PDE5A (1.00) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL2583256 | 0.81 | PDE5A (0.90) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL13984093 | 0.80 | CYP1A2 (0.72) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL12176096 | 0.80 | MEN1 (0.71) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103068393-A | Methods and compositions for inhibition of the transitional endoplasmic reticulum atpase | CLEAVE BIOSCIENCES INC CLEAVE | 2013-04-24 | — | — | CN | disclosed |
| EP-2566480-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | California Institute of Technology (US) | 2013-03-13 | — | — | EP | disclosed |
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| WO-2011140527-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) | 2011-11-10 | — | — | WO | disclosed |
| WO-2011140527-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) | 2011-11-10 | — | — | WO | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |