Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4809719 | 0.85 | SLC22A12 (0.45) | SLC22A12CYP11B1CYP11B2PTGS1AKR1C3 | |
| SCHEMBL6938926 | 0.84 | SLC22A12 (0.41) | SLC22A12CYP11B1CYP11B2PTGS1AKR1C3 | |
| SCHEMBL4813394 | 0.79 | KDM4E (0.47) | SLC22A12CYP11B1CYP11B2AKR1C3AKR1C2 | |
| Bromide SCHEMBL4812125 | 0.76 | ALDH1A1 (0.48) | SLC22A12CYP11B1CYP11B2ALDH1A1HPGD | |
| SCHEMBL4816050 | 0.76 | CYP11B1 (0.55) | CYP11B1CYP11B2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL4811504 | 0.74 | CYP11B1 (0.43) | SLC22A12CYP11B1CYP11B2KDM4EALDH1A1 | |
| Lithium SCHEMBL5930703 | 0.72 | AURKA (0.40) | SLC22A12KDM4EALDH1A1PTGDR2MAPT | |
| SCHEMBL5930695 | 0.72 | AURKA (0.40) | SLC22A12KDM4EALDH1A1PTGDR2MAPT | |
| Hydrochloric Acid SCHEMBL4808751 | 0.72 | KEAP1 (0.49) | KDM4EPTGDR2 | |
| SCHEMBL6939512 | 0.71 | PRKCE (0.38) | CYP11B1CYP11B2KDM4EALDH1A1HSD17B10 |
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-1268480-A1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | Novartis AG (CH) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001077110-A1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | NOVARTIS AG (CH) | 2001-10-18 | — | — | WO | disclosed |