Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | USP2 | O75604 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5745769 | 1.00 | ALDH1A1 (0.48) | ALDH1A1LMNACYP46A1CA12CA1 | |
| SCHEMBL5741756 | 0.93 | CA12 (0.47) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL5741758 | 0.93 | CA12 (0.47) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL5744595 | 0.92 | ALDH1A1 (0.53) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL5744591 | 0.92 | ALDH1A1 (0.53) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL4943212 | 0.85 | OXTR (0.49) | ALDH1A1LMNACYP46A1CA12CA1 | |
| SCHEMBL4943207 | 0.85 | OXTR (0.49) | ALDH1A1LMNACYP46A1CA12CA1 | |
| SCHEMBL4936043 | 0.78 | OXTR (0.49) | ALDH1A1LMNACYP3A4CYP2C19MEN1 | |
| SCHEMBL4936051 | 0.78 | OXTR (0.49) | ALDH1A1LMNACYP3A4CYP2C19MEN1 | |
| SCHEMBL4944103 | 0.77 | OXTR (0.54) | ALDH1A1LMNACA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268419-B1 | PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS (AN) | 2006-06-21 | — | — | EP | claimed |