Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | TP53 | P04637 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.69 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.69 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.69 |
| ▸ | VKORC1 | Q9BQB6 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2052391 | 0.85 | NQO1 (0.65) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL5072364 | 0.85 | NQO1 (0.71) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8806732 | 0.85 | NQO1 (0.71) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL15851241 | 0.84 | ALDH1A1 (0.63) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8806304 | 0.84 | NQO1 (0.69) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL15851240 | 0.84 | ALDH1A1 (0.63) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL15851233 | 0.84 | ALDH1A1 (0.63) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL15851234 | 0.84 | ALDH1A1 (0.63) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL15851237 | 0.84 | ALDH1A1 (0.63) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL15851235 | 0.84 | ALDH1A1 (0.63) | NQO1ALDH1A1LMNATP53TSHR |
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 |