Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | DPP4 | P27487 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | HMGCR | P04035 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20366895 | 0.88 | HSD17B2 (0.62) | KMT2AHSD17B2GAAALDH1A1DPP4 | |
| SCHEMBL13468453 | 0.88 | HSD17B2 (0.62) | HSD17B2GAAALDH1A1DPP4MAPT | |
| SCHEMBL6788470 | 0.87 | KMT2A (0.57) | KMT2AHSD17B2GAAALDH1A1DPP4 | |
| SCHEMBL2900687 | 0.86 | KMT2A (0.65) | KMT2AHSD17B2GAAALDH1A1DPP4 | |
| SCHEMBL13870580 | 0.86 | HSD17B2 (0.49) | KMT2AHSD17B2GAAALDH1A1DPP4 | |
| SCHEMBL16302043 | 0.84 | TSHR (0.61) | KMT2AGAAALDH1A1MAPTLMNA | |
| SCHEMBL19349238 | 0.84 | HSD17B2 (0.54) | KMT2AHSD17B2ALDH1A1DPP4MAPT | |
| SCHEMBL5240208 | 0.84 | LCK (0.53) | KMT2AHSD17B2GAAALDH1A1DPP4 | |
| SCHEMBL13469397 | 0.84 | KMT2A (0.53) | KMT2AHSD17B2GAAALDH1A1DPP4 | |
| SCHEMBL3972997 | 0.82 | KDM4E (0.63) | KMT2AGAAALDH1A1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3169662-B1 | SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2018-07-11 | — | — | EP | disclosed |
| EP-2510786-A1 | Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives | Bayer CropScience AG (DE) | 2012-10-17 | — | — | EP | disclosed |