Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.31 |
| ▸ | IL2 | P60568 | 1/20 | 0.31 |
| ▸ | STIM1 | Q13586 | 2/20 | 0.31 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2906363 | 0.87 | ALDH1A1 (0.41) | KDM4EALDH1A1GRIN2BIL2STIM1 | |
| SCHEMBL4510196 | 0.81 | ALDH1A1 (0.40) | KDM4EALDH1A1GRIN2B | |
| SCHEMBL29433011 | 0.79 | ABCB1 (0.37) | KDM4EALDH1A1GRIN2B | |
| SCHEMBL21295278 | 0.79 | ABCB1 (0.37) | KDM4EALDH1A1GRIN2B | |
| SCHEMBL29678248 | 0.78 | AKR1C3 (0.43) | ALDH1A1 | |
| SCHEMBL4405493 | 0.78 | AKR1C3 (0.43) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4510693 | 0.77 | AKR1C3 (0.43) | ALDH1A1 | |
| SCHEMBL23265495 | 0.76 | KDM4E (0.34) | KDM4EALDH1A1 | |
| SCHEMBL23265459 | 0.76 | ALDH1A1 (0.46) | KDM4EALDH1A1GRIN2BIL2 | |
| SCHEMBL18588624 | 0.75 | KDM4E (0.32) | KDM4EALDH1A1 |
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-2223919-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES | NIPPON SODA CO (JP) | 2014-10-15 | — | — | EP | disclosed |
| EP-2223919-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE | Nippon Soda Co., Ltd. (JP) | 2010-09-01 | — | — | EP | disclosed |