Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 8/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | JAK2 | O60674 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | MPI | P34949 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | SHBG | P04278 | 1/20 | 0.56 |
| ▸ | CNR2 | P34972 | 2/20 | 0.53 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.53 |
| ▸ | VKORC1 | Q9BQB6 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945371 | 0.80 | NQO1 (0.52) | NQO1KDM4EGAAPOLBMAPT | |
| SCHEMBL7800243 | 0.80 | NQO1 (0.51) | NQO1KDM4EMAPK1MCL1ALDH1A1 | |
| SCHEMBL1648186 | 0.78 | NQO1 (1.00) | NQO1MAPK1VKORC1ALDH1A1LMNA | |
| SCHEMBL8381781 | 0.77 | MCL1 (0.54) | NQO1KDM4EMAPTHTTMCL1 | |
| SCHEMBL11491095 | 0.75 | ERAP1 (0.49) | KDM4EGAAPOLBMAPTPKM | |
| SCHEMBL2839705 | 0.74 | KDM4E (1.00) | NQO1KDM4EGAAMAPK1JAK2 | |
| SCHEMBL8934532 | 0.74 | NQO1 (0.79) | NQO1KDM4EGAAMAPK1VKORC1 | |
| SCHEMBL8945542 | 0.73 | CNR2 (0.52) | NQO1POLBMAPTCNR2GPR55 | |
| SCHEMBL9842105 | 0.72 | MCL1 (0.56) | NQO1KDM4EGAAMAPK1JAK2 | |
| SCHEMBL4389522 | 0.71 | ALDH1A1 (0.67) | KDM4EGAAPOLBMAPTHTT |
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 |