Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 12/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.57 |
| ▸ | VKORC1 | Q9BQB6 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1648186 | 0.83 | NQO1 (1.00) | NQO1ALDH1A1VKORC1MEN1ABCB11 | |
| SCHEMBL14169918 | 0.80 | NQO1 (0.78) | NQO1KDM4EALDH1A1MEN1ABCB11 | |
| SCHEMBL7811513 | 0.79 | NQO1 (0.76) | NQO1KDM4EALDH1A1HSD17B3MEN1 | |
| SCHEMBL8945418 | 0.79 | NQO1 (0.62) | NQO1KDM4EALDH1A1VKORC1MEN1 | |
| SCHEMBL9208386 | 0.76 | NQO1 (0.56) | NQO1KDM4EALDH1A1GLAGAA | |
| SCHEMBL11480049 | 0.76 | MAOB (0.71) | NQO1KDM4EALDH1A1ERAP1MEN1 | |
| SCHEMBL9211697 | 0.75 | NQO1 (0.54) | NQO1KDM4EALDH1A1GLAGAA | |
| SCHEMBL1648127 | 0.74 | NQO1 (0.83) | NQO1ALDH1A1VKORC1MEN1ABCB11 | |
| SCHEMBL8934515 | 0.74 | NQO1 (0.64) | NQO1KDM4EALDH1A1GLAGAA | |
| SCHEMBL7797770 | 0.74 | KDM4E (0.74) | NQO1KDM4EALDH1A1GLAGAA |
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-1996031206-A2 | FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1996-10-10 | — | — | WO | claimed |
| WO-1996031206-A2 | FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1996-10-10 | — | — | WO | disclosed |