Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | HMGCR | P04035 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11068304 | 0.91 | TAAR1 (0.50) | KDM4EPOLBHMGCRCYP3A4HSD17B10 | |
| SCHEMBL6614661 | 0.87 | KDM4E (0.54) | KDM4EPOLBKMT2ACYP3A4ALDH1A1 | |
| SCHEMBL13469256 | 0.87 | KDM4E (0.46) | KDM4EPOLBHMGCRKMT2ACYP3A4 | |
| SCHEMBL16200097 | 0.86 | GAA (0.55) | KDM4EPOLBKMT2AALDH1A1HSD17B10 | |
| SCHEMBL13469397 | 0.85 | KMT2A (0.53) | KDM4EHMGCRKMT2AALDH1A1GAA | |
| SCHEMBL1608930 | 0.85 | KDM4E (0.56) | KDM4EPOLBKMT2ACYP3A4ALDH1A1 | |
| SCHEMBL11800712 | 0.84 | KDM4E (0.54) | KDM4EPOLBHMGCRKMT2ACYP3A4 | |
| SCHEMBL7378524 | 0.83 | KDM4E (0.73) | KDM4EPOLBKMT2ACYP3A4ALDH1A1 | |
| SCHEMBL3342389 | 0.82 | HMGCR (0.50) | KDM4EHMGCRKMT2ACYP3A4ALDH1A1 | |
| SCHEMBL13469242 | 0.82 | LCK (0.58) | KDM4EHMGCRKMT2ACYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016008862-A1 | SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-21 | — | — | WO | disclosed |
| 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 |