Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 3/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6743549 | 1.00 | ALDH1A1 (0.34) | ALDH1A1GLAMGLLNLRP3KDM4E | |
| SCHEMBL6742926 | 0.94 | TDP1 (0.35) | ALDH1A1MGLLNLRP3KDM4E | |
| SCHEMBL13263803 | 0.93 | MGLL (0.31) | ALDH1A1GLAMGLLNLRP3KDM4E | |
| SCHEMBL6742434 | 0.93 | MGLL (0.31) | ALDH1A1GLAMGLLNLRP3KDM4E | |
| SCHEMBL10132905 | 0.91 | NLRP3 (0.35) | ALDH1A1MGLLNLRP3KDM4E | |
| SCHEMBL6742973 | 0.91 | NLRP3 (0.35) | ALDH1A1MGLLNLRP3KDM4E | |
| SCHEMBL10132910 | 0.89 | SMN1; SMN2 (0.34) | ALDH1A1MGLLNLRP3KDM4E | |
| SCHEMBL6742301 | 0.89 | SMN1; SMN2 (0.34) | ALDH1A1MGLLNLRP3KDM4E | |
| SCHEMBL10132919 | 0.86 | ALDH1A1 (0.36) | ALDH1A1GLAHRH3 | |
| SCHEMBL2473198 | 0.85 | KDM4E (0.38) | ALDH1A1MGLLKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2374788-B1 | INDANYL COMPOUNDS | DAIICHI SANKYO CO LTD (JP) | 2013-04-03 | — | — | EP | disclosed |
| WO-2010074088-A1 | CYCLIC AMINE COMPOUNDS | 第一三共株式会社 (JP) | 2010-07-01 | — | — | WO | disclosed |