Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CETP | P11597 | 3/20 | 0.49 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL25981312 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL18196803 | 0.99 | ALDH1A1 (0.49) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL25981305 | 0.92 | ALDH1A1 (0.45) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL27785221 | 0.88 | ALDH1A1 (0.58) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL5076609 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL5075437 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL5075424 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL5076023 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL30458000 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MEN1HPGDKMT2ACETP | |
| SCHEMBL6370981 | 0.86 | GPR84 (0.51) | ALDH1A1MEN1HPGDKMT2ACETP |
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 |