Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8104799 | 0.96 | ALDH1A1 (0.39) | ALDH1A1POLBEPHX2HSD11B1KDM4E | |
| SCHEMBL14859158 | 0.77 | EPHX2 (0.33) | ALDH1A1EPHX2 | |
| SCHEMBL2482790 | 0.73 | POLB (0.42) | ALDH1A1POLBHSD11B1KDM4EHTT | |
| Adamantaneacetic Acid SCHEMBL24688608 | 0.72 | ALDH1A1 (0.62) | ALDH1A1POLBHSD11B1CYP3A4CYP2C19 | |
| Adamantaneacetic Acid SCHEMBL306081 | 0.72 | ALDH1A1 (0.62) | ALDH1A1POLBHSD11B1CYP3A4CYP2C19 | |
| Adamantaneacetic Acid SCHEMBL6865701 | 0.72 | ALDH1A1 (0.62) | ALDH1A1POLBHSD11B1CYP3A4CYP2C19 | |
| SCHEMBL944175 | 0.71 | EPHX2 (0.37) | ALDH1A1EPHX2 | |
| Adamantaneacetic Acid SCHEMBL4147939 | 0.70 | ALDH1A1 (0.60) | ALDH1A1POLBHSD11B1CYP3A4CYP2C19 | |
| SCHEMBL8097478 | 0.67 | HSD11B1 (0.48) | ALDH1A1POLBHSD11B1KDM4EHTT | |
| SCHEMBL944090 | 0.67 | EPHX2 (0.37) | ALDH1A1EPHX2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1036058-B1 | ADAMANTANE DERIVATIVES | ASTRAZENECA UK LTD (GB) | 2003-03-12 | — | — | EP | disclosed |
| US-6242470-B1 | RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION | ASTRAZENECA AB (SE) | 2001-06-05 | — | — | US | disclosed |
| EP-1036058-A1 | ADAMANTANE DERIVATIVES | AstraZeneca UK Limited (GB) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999029660-A1 | ADAMANTANE DERIVATIVES | ASTRAZENECA UK LIMITED (GB) | 1999-06-17 | — | — | WO | disclosed |