Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.33 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL161183 | 0.78 | ABCG2 (0.39) | ABCG2TXNRD1TXNRD3TXNRD2AOC3 | |
| SCHEMBL3404505 | 0.77 | ABCG2 (0.37) | ABCG2TXNRD1TXNRD3TXNRD2AOC3 | |
| SCHEMBL3351629 | 0.75 | AOC3 (0.39) | ABCG2TXNRD1TXNRD3TXNRD2AOC3 | |
| SCHEMBL83574 | 0.75 | NQO2 (0.40) | ABCG2TXNRD1TXNRD3TXNRD2AOC3 | |
| SCHEMBL9394553 | 0.75 | ABCG2 (0.36) | ABCG2TXNRD1TXNRD3TXNRD2AOC3 | |
| SCHEMBL6784931 | 0.73 | HSP90AA1 (0.30) | — | |
| SCHEMBL8638641 | 0.71 | MAPT (0.39) | ALDH1A1HSD17B10NQO2 | |
| SCHEMBL9738660 | 0.71 | KDM4E (0.41) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL5907509 | 0.71 | NQO2 (0.37) | ABCG2AOC3ALDH1A1NQO2 | |
| SCHEMBL8612149 | 0.71 | CHRNB2 (0.35) | ABCG2TXNRD1TXNRD3TXNRD2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6794396-B2 | Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity | PHARMACIA CORPORATION | 2004-09-21 | — | — | US | disclosed |
| US-6605624-B1 | Preventing and/or treating atherosclerosis and other coronary artery diseases | PHARMACIA CORPORATION | 2003-08-12 | — | — | US | disclosed |
| US-5602174-A | TREATMENT OR PROPHYLAXIS OF ANGINA | BEECHAM WUEFLING GMBH & CO. (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5494933-A | THERAPY FOR ANGINA IN MAMMALS | BEECHAM-WUELFING GMBH & CO. KG (DE) | 1996-02-27 | — | — | US | disclosed |
| EP-0233762-B1 | USE OF AROMATIC DIAMINES FOR THE TREATMENT OF ANGINA PECTORIS, AND DIAMINES THEREFOR | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1992-08-19 | — | — | EP | disclosed |