Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.52 |
| ▸ | ITGAV | P06756 | 1/20 | 0.52 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL20366927 | 0.96 | TP53 (0.54) | CNR1CNR2ALOX5ITGB3ITGB1 | |
| SCHEMBL10724171 | 0.89 | CNR1 (0.53) | CNR1CNR2ALOX5PDK2KMT2A | |
| SCHEMBL18314632 | 0.89 | GAA (0.50) | CNR1CNR2ALOX5PDK2GAA | |
| SCHEMBL31562993 | 0.88 | CNR1 (0.53) | CNR1CNR2ALOX5PDK2NPC1 | |
| SCHEMBL12979193 | 0.88 | CNR1 (0.53) | CNR1CNR2ALOX5PDK2NPC1 | |
| SCHEMBL20366865 | 0.86 | ALDH1A1 (0.56) | ITGB3ITGB1ITGAVITGA5ITGA4 | |
| SCHEMBL13469109 | 0.85 | CNR2 (0.53) | CNR1CNR2ALOX5PDK2ALDH1A1 | |
| SCHEMBL15614468 | 0.85 | CNR2 (0.51) | CNR1CNR2ALOX5PDK2KMT2A | |
| SCHEMBL8633268 | 0.84 | CNR1 (0.50) | CNR1CNR2ALOX5PDK2GAA | |
| SCHEMBL20858858 | 0.84 | ITGB1 (0.67) | ITGB3ITGB1ITGAVITGA5ITGA4 |
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 |