Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19949182 | 0.85 | CYP2C19 (0.39) | CYP2C19YTHDC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL1485370 | 0.82 | CYP2C19 (0.38) | CYP2C19YTHDC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL7904174 | 0.80 | ALDH1A1 (0.40) | CYP2C19YTHDC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL1333153 | 0.80 | ALDH1A1 (0.40) | CYP2C19YTHDC1KMT2AMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3980796 | 0.79 | ALDH1A1 (0.39) | CYP2C19YTHDC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL6044670 | 0.76 | CYP2C19 (0.42) | CYP2C19YTHDC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL15614521 | 0.76 | CYP2C19 (0.42) | CYP2C19YTHDC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL28391787 | 0.76 | F10 (0.39) | KMT2AALDH1A1TP53PI4KAPI4K2B | |
| SCHEMBL1564295 | 0.73 | P2RY12 (0.40) | CYP2C19KMT2AMEN1ALDH1A1TP53 | |
| SCHEMBL20851567 | 0.73 | F10 (0.41) | CYP2C19ALDH1A1NFKB1MAPK1CYP1A2 |
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-2012139891-A1 | SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | BAYER CROPSCIENCE AG (DE) | 2012-10-18 | — | — | WO | disclosed |