Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | PDE5A | O76074 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7258507 | 0.85 | HRH4 (0.55) | HRH4HRH1NPC1HTR3ACLK4 | |
| SCHEMBL7254578 | 0.84 | HRH4 (0.60) | HRH4HRH1NPC1HTR3ACLK4 | |
| SCHEMBL7255652 | 0.84 | HRH4 (0.55) | HRH4HRH1NPC1HTR3ACLK4 | |
| SCHEMBL7258098 | 0.82 | HRH1 (0.47) | HRH4HRH1NPC1CLK4 | |
| SCHEMBL7259508 | 0.79 | HRH4 (0.52) | HRH4HRH1NPC1HTR3ACLK4 | |
| SCHEMBL7259297 | 0.79 | HRH1 (0.50) | HRH4HRH1 | |
| SCHEMBL2590769 | 0.76 | RAD52 (0.68) | HRH4HTR3APDE5AKMT2AALDH1A1 | |
| SCHEMBL7254519 | 0.75 | NPC1 (0.52) | HRH4HRH1NPC1CLK4MEN1 | |
| SCHEMBL21686898 | 0.70 | HRH4 (1.00) | HRH4HRH1HTR3A | |
| SCHEMBL29870144 | 0.70 | HRH4 (1.00) | HRH4HRH1HTR3A |
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-2003055866-A1 | QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-10 | — | — | WO | disclosed |