Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13469397 | 0.88 | KMT2A (0.53) | HSD17B2DPP4CA12CA1CA2 | |
| SCHEMBL25387590 | 0.88 | HSD17B2 (0.51) | HSD17B2DPP4CA12CA1CA2 | |
| SCHEMBL13469256 | 0.87 | KDM4E (0.46) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL27455432 | 0.87 | HSD17B2 (0.59) | HSD17B2DPP4CA12CA1CA2 | |
| SCHEMBL13468453 | 0.85 | HSD17B2 (0.62) | HSD17B2DPP4CA12CA1CA2 | |
| SCHEMBL28097982 | 0.83 | HSD17B2 (0.55) | HSD17B2DPP4CA12CA1CA2 | |
| SCHEMBL1300913 | 0.83 | HSD17B2 (0.55) | HSD17B2DPP4CA12CA1CA2 | |
| SCHEMBL20366895 | 0.82 | HSD17B2 (0.62) | HSD17B2DPP4CA12CA1CA2 | |
| SCHEMBL13469246 | 0.81 | MAPT (0.49) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL21961789 | 0.81 | HSD17B2 (0.56) | HSD17B2DPP4CA12CA1CA2 |
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 |