Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.55 |
| ▸ | HRH1 | P35367 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 6/20 | 0.49 |
| ▸ | TCF7L2 | Q9NQB0 | 6/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7255652 | 0.89 | HRH4 (0.55) | HRH4HRH1CTNNB1TCF7L2CLK4 | |
| SCHEMBL7259297 | 0.87 | HRH1 (0.50) | HRH4HRH1CTNNB1TCF7L2 | |
| SCHEMBL7258098 | 0.86 | HRH1 (0.47) | HRH4HRH1CTNNB1TCF7L2CLK4 | |
| SCHEMBL7260290 | 0.85 | HRH4 (0.54) | HRH4HRH1CLK4NPC1HTR3A | |
| SCHEMBL7254578 | 0.85 | HRH4 (0.60) | HRH4HRH1CLK4NPC1HTR3A | |
| SCHEMBL7254511 | 0.84 | LMNA (0.56) | CTNNB1TCF7L2CLK4MEN1USP2 | |
| SCHEMBL7254519 | 0.83 | NPC1 (0.52) | HRH4HRH1CTNNB1TCF7L2CLK4 | |
| SCHEMBL7071101 | 0.82 | ADORA2A (0.53) | CSNK2A1 | |
| SCHEMBL7259508 | 0.80 | HRH4 (0.52) | HRH4HRH1CLK4NPC1HTR3A | |
| SCHEMBL7254764 | 0.80 | CNR1 (0.57) | HRH4CTNNB1TCF7L2CNR1HTR3A |
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 |