Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 12/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5271354 | 0.93 | ABCG2 (0.51) | ALDH1A1ABCG2ABCB1TP53 | |
| SCHEMBL5270046 | 0.91 | ABCG2 (0.52) | ALDH1A1ABCG2ABCB1TP53POLB | |
| SCHEMBL5268027 | 0.91 | ABCG2 (0.55) | ALDH1A1ABCG2ABCB1TP53POLB | |
| SCHEMBL5270496 | 0.90 | ABCG2 (0.52) | ALDH1A1ABCG2ABCB1TP53POLB | |
| SCHEMBL5275025 | 0.88 | ABCG2 (0.51) | ALDH1A1ABCG2ABCB1TP53POLB | |
| SCHEMBL5273366 | 0.87 | ABCG2 (0.48) | ABCG2ABCB1POLBLMNAMAPT | |
| SCHEMBL5266720 | 0.87 | ABCG2 (0.55) | ALDH1A1ABCG2ABCB1TP53POLB | |
| SCHEMBL5271359 | 0.87 | POLB (0.53) | ALDH1A1ABCG2ABCB1TP53POLB | |
| SCHEMBL5272573 | 0.87 | ABCG2 (0.52) | ALDH1A1ABCG2ABCB1TP53POLB | |
| SCHEMBL5266248 | 0.86 | POLB (0.58) | ABCG2ABCB1TP53POLBLMNA |
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-1868600-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE DEPENDENCY | Grünenthal GmbH (DE) | 2007-12-26 | — | — | EP | claimed |
| WO-2006108565-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE DEPENDENCY | Grünenthal GmbH (DE) | 2006-10-19 | — | — | WO | claimed |
| EP-1868600-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE DEPENDENCY | Grünenthal GmbH (DE) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006108565-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE DEPENDENCY | Grünenthal GmbH (DE) | 2006-10-19 | — | — | WO | disclosed |