Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17468878 | 0.79 | — | — | |
| SCHEMBL17469195 | 0.78 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL17469199 | 0.78 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL9404196 | 0.77 | — | — | |
| SCHEMBL7680728 | 0.77 | NPC1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL7680724 | 0.77 | NPC1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL17469185 | 0.76 | PYCR1 (0.32) | — | |
| SCHEMBL17469190 | 0.76 | DPP4 (0.34) | — | |
| SCHEMBL4607704 | 0.75 | — | — | |
| SCHEMBL26189174 | 0.75 | CHRM1 (0.33) | ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016012362-A1 | SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | WO | disclosed |