Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1377359 | 0.89 | NR3C2 (0.40) | LMNACYP11B1CYP11B2POLBPTGER2 | |
| SCHEMBL1379275 | 0.83 | PTGER2 (0.38) | PTGER2GPR55 | |
| SCHEMBL1378598 | 0.83 | KCNA5 (0.51) | CYP1A2LMNAPTGER2GPR55 | |
| SCHEMBL1377228 | 0.82 | CYP1A2 (0.43) | CYP1A2LMNAKDM4EPTGER2MAPK8 | |
| SCHEMBL3810301 | 0.82 | GPR55 (0.45) | CYP1A2LMNACYP11B1CYP11B2POLB | |
| SCHEMBL1378017 | 0.82 | GRM5 (0.43) | CYP1A2GRM5 | |
| SCHEMBL3812181 | 0.81 | LMNA (0.37) | LMNACYP11B1CYP11B2PTGER2GPR55 | |
| SCHEMBL3816028 | 0.81 | PTGER2 (0.39) | LMNACYP11B1CYP11B2PTGER2 | |
| SCHEMBL1381538 | 0.79 | GRM2 (0.39) | CYP11B1CYP11B2 | |
| SCHEMBL3809308 | 0.77 | CYP19A1 (0.38) | CYP1A2CYP11B1CYP11B2GPR55GRM5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776355-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1776355-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006014877-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |