Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18031228 | 0.83 | CYP3A4 (0.50) | KDM4EPOLBL3MBTL1LMNATDP1 | |
| SCHEMBL18031517 | 0.83 | KDM4E (0.53) | KDM4EPOLBL3MBTL1LMNATDP1 | |
| SCHEMBL143239 | 0.83 | CDK8 (0.44) | KDM4EPOLBL3MBTL1LMNATDP1 | |
| SCHEMBL255939 | 0.81 | NOTUM (0.44) | KDM4EPOLBL3MBTL1LMNATDP1 | |
| SCHEMBL30781376 | 0.81 | NOTUM (0.44) | KDM4EPOLBL3MBTL1LMNATDP1 | |
| SCHEMBL7920910 | 0.81 | CDK8 (0.46) | KDM4EPOLBL3MBTL1LMNATDP1 | |
| SCHEMBL28362761 | 0.81 | KDM4E (0.49) | KDM4EPOLBL3MBTL1LMNATDP1 | |
| SCHEMBL121721 | 0.80 | CYP2D6 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL30460807 | 0.79 | CYP2D6 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL18033213 | 0.79 | POLB (0.39) | KDM4EPOLBTDP1CDK8PTPN11 |
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 |
|---|---|---|---|---|---|---|---|
| US-6228868-B1 | ANTICARCINOGENIC AND ANTITUMOR AGENTS | ABBOTT LABORATORIES | 2001-05-08 | — | — | US | disclosed |
| WO-2000006556-A1 | SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS | ABBOTT LABORATORIES (US) | 2000-02-10 | — | — | WO | disclosed |