Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | CTNNB1 | P35222 | 7/20 | 0.49 |
| ▸ | TCF7L2 | Q9NQB0 | 7/20 | 0.49 |
| ▸ | PDE5A | O76074 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7254764 | 0.89 | CNR1 (0.57) | CNR1CTNNB1TCF7L2PDE5AALDH1A1 | |
| SCHEMBL7260498 | 0.80 | CNR1 (0.54) | CNR1PDE5AHRH4HTR3A | |
| SCHEMBL7258507 | 0.79 | HRH4 (0.55) | CNR1CTNNB1TCF7L2ALDH1A1HRH4 | |
| SCHEMBL7254637 | 0.78 | CNR1 (0.58) | CNR1CTNNB1TCF7L2PDE5AALDH1A1 | |
| SCHEMBL7503857 | 0.77 | PDE5A (0.69) | PDE5AALDH1A1 | |
| SCHEMBL7260501 | 0.74 | CTNNB1 (0.65) | CNR1CTNNB1TCF7L2 | |
| SCHEMBL27840330 | 0.74 | PDE5A (0.53) | CNR1PDE5AALDH1A1 | |
| SCHEMBL7258119 | 0.73 | FABP3 (0.53) | CNR1CTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL2590769 | 0.72 | RAD52 (0.68) | PDE5AALDH1A1HRH4HTR3A | |
| SCHEMBL3638867 | 0.72 | PDE5A (0.73) | PDE5AALDH1A1HRH4HTR3A |
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 |