Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 6/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL12023001 | 0.85 | MAPK8 (0.46) | MAPK8KEAP1CES2CES1PARP1 | |
| SCHEMBL6755715 | 0.83 | MAPK8 (0.44) | MAPK8KEAP1CES2CES1PARP1 | |
| Hydrochloric Acid SCHEMBL4770593 | 0.81 | MAPK8 (0.43) | MAPK8KEAP1CES2CES1PARP1 | |
| SCHEMBL10209769 | 0.80 | LMNA (0.47) | MAPK8KEAP1CES2CES1PARP1 | |
| SCHEMBL16516247 | 0.79 | CA12 (0.40) | CES2PARP1 | |
| SCHEMBL10160070 | 0.79 | POLB (0.45) | MAPK8KEAP1CES2CES1PARP1 | |
| SCHEMBL7459469 | 0.77 | TYR (0.46) | MAPK8KEAP1CES2CES1MPO | |
| SCHEMBL26803617 | 0.76 | MAPK8 (0.40) | MAPK8KEAP1CES2CES1PARP1 | |
| SCHEMBL29463969 | 0.76 | CES2 (0.52) | MAPK8KEAP1CES2CES1PARP1 | |
| SCHEMBL19695738 | 0.76 | MAPK8 (0.44) | MAPK8KEAP1CES2CES1PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5399748-A | Derivatives of aspartic acid and glutamic acid having anticholecystokinin activity | JAMES BLACK FOUNDATION LIMITED (GB) | 1995-03-21 | — | — | US | disclosed |
| EP-0552158-B1 | DERIVATIVES OF ASPARTIC ACID AND GLUTAMIC ACID HAVING ANTI-CHOLECYSTOKININ ACTIVITY | BLACK JAMES FOUNDATION (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1992000958-A1 | DERIVATIVES OF ASPARTIC ACID AND GLUTAMIC ACID HAVING ANTI-CHOLECYSTOKININ ACTIVITY | JAMES BLACK FOUNDATION LIMITED (GB) | 1992-01-23 | — | — | WO | disclosed |