Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 5/20 | 0.39 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25055960 | 0.88 | CA12 (0.45) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 | |
| SCHEMBL24878479 | 0.83 | CTSS (0.41) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 | |
| SCHEMBL8461837 | 0.83 | HTT (0.48) | ALDH1A1CA12CA1KMT2A | |
| SCHEMBL3592585 | 0.81 | CA12 (0.48) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 | |
| SCHEMBL3592587 | 0.81 | CA12 (0.48) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 | |
| SCHEMBL27894292 | 0.80 | CA12 (0.47) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 | |
| SCHEMBL6063076 | 0.79 | ALDH1A1 (0.48) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 | |
| SCHEMBL1728323 | 0.79 | ALDH1A1 (0.48) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 | |
| SCHEMBL11586767 | 0.78 | CA12 (0.46) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 | |
| SCHEMBL7521815 | 0.78 | CA12 (0.46) | CYP2C19ALDH1A1CYP3A4CYP2C9CA12 |
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 |