Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL184335 | 1.00 | CHEK2 (0.45) | CHEK2MAPTCYP1A2TSHRCYP3A4 | |
| SCHEMBL238371 | 0.90 | CHEK2 (0.58) | CHEK2MAPTCYP1A2TSHRCYP3A4 | |
| SCHEMBL238373 | 0.90 | CHEK2 (0.58) | CHEK2MAPTCYP1A2TSHRCYP3A4 | |
| SCHEMBL183850 | 0.81 | CHEK2 (0.42) | CHEK2MAPTCYP1A2TSHRCYP3A4 | |
| SCHEMBL1621663 | 0.80 | CHEK2 (0.60) | CHEK2MAPTCYP1A2TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL1624310 | 0.79 | CHEK2 (0.59) | CHEK2MAPTCYP1A2TSHRCYP3A4 | |
| SCHEMBL14535451 | 0.79 | MAPT (0.42) | CHEK2MAPTCYP1A2TSHRCYP3A4 | |
| SCHEMBL183832 | 0.79 | PDE10A (0.39) | CHEK2MAPTHIF1AKDM4ETP53 | |
| SCHEMBL183833 | 0.79 | PDE10A (0.39) | CHEK2MAPTHIF1AKDM4ETP53 | |
| SCHEMBL239804 | 0.78 | CHEK2 (0.59) | CHEK2MAPTTSHRALDH1A1HIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957482-B1 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMA (US) | 2012-01-04 | — | — | EP | disclosed |