Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13769452 | 0.92 | CYP1A2 (0.39) | MAPTCHEK2CYP1A2CYP3A4TSHR | |
| SCHEMBL13157348 | 0.88 | TSHR (0.48) | MAPTCYP1A2CYP3A4TSHRCLK4 | |
| SCHEMBL13769465 | 0.85 | CYP1A2 (0.53) | MAPTCHEK2CYP1A2CYP3A4TSHR | |
| SCHEMBL183512 | 0.85 | CHEK2 (0.58) | MAPTCHEK2CYP1A2CYP3A4TSHR | |
| SCHEMBL184238 | 0.85 | CHEK2 (0.58) | MAPTCHEK2CYP1A2CYP3A4TSHR | |
| SCHEMBL183511 | 0.85 | CHEK2 (0.58) | MAPTCHEK2CYP1A2CYP3A4TSHR | |
| SCHEMBL13769265 | 0.85 | MAPT (0.47) | MAPTCHEK2CYP1A2CYP3A4TSHR | |
| SCHEMBL13157349 | 0.84 | HIF1A (0.51) | MAPTCYP1A2CYP3A4TSHRCLK4 | |
| SCHEMBL183850 | 0.83 | CHEK2 (0.42) | MAPTCHEK2CYP1A2CYP3A4TSHR | |
| SCHEMBL1623718 | 0.79 | SMAD3 (0.55) | MAPTCHEK2TSHRUSP2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | disclosed |