Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.50 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17424066 | 0.91 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 | |
| SCHEMBL17424063 | 0.87 | KDM4E (0.54) | CYP1A2CYP3A4CYP2C19KDM4EMAPT | |
| SCHEMBL17424071 | 0.86 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 | |
| SCHEMBL7284683 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 | |
| SCHEMBL17424081 | 0.79 | ALDH1A1 (0.55) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 | |
| SCHEMBL14845077 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 | |
| SCHEMBL7290898 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 | |
| SCHEMBL17424075 | 0.75 | ALDH1A1 (0.53) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 | |
| SCHEMBL774558 | 0.75 | CLEC4M (0.76) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 | |
| SCHEMBL10721159 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19GABRA1GABRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3166930-A1 | 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY | ETH Zürich (CH) | 2017-05-17 | — | — | EP | disclosed |
| WO-2016005419-A1 | 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY | ETH ZURICH (CH) | 2016-01-14 | — | — | WO | disclosed |