Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.60 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | TSPO | P30536 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.52 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7601367 | 0.88 | ABCG2 (0.54) | TSPOABCG2TP53ADORA3ALDH1A1 | |
| SCHEMBL5781008 | 0.88 | ABCG2 (0.57) | TSPOABCG2TP53ADORA3ALDH1A1 | |
| SCHEMBL16039130 | 0.84 | MEN1 (0.62) | CYP1B1CYP1A1CYP1A2ABCG2TP53 | |
| SCHEMBL16039146 | 0.84 | CYP1A1 (0.60) | CYP1B1CYP1A1CYP1A2ABCG2TP53 | |
| SCHEMBL16039656 | 0.84 | MAPT (0.59) | CYP1A2ABCG2GRM2TP53ADORA3 | |
| SCHEMBL16038378 | 0.84 | PDE10A (0.58) | ABCG2TP53ADORA3TNKSTNKS2 | |
| Dimethylamine SCHEMBL4104002 | 0.82 | ABCG2 (0.55) | CYP1A2TSPOABCG2TP53ADORA3 | |
| SCHEMBL16039610 | 0.80 | PRNP (0.47) | CYP1B1CYP1A1CYP1A2ABCG2TP53 | |
| SCHEMBL16038364 | 0.80 | CYP3A4 (0.68) | CYP1A2TP53ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL16038183 | 0.80 | ABCG2 (0.56) | ABCG2TP53ADORA3TNKSTNKS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006034491-A2 | PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-03-30 | — | — | WO | disclosed |
| WO-2006034512-A2 | PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-03-30 | — | — | WO | disclosed |