Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 1/20 | 0.34 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.31 |
| ▸ | KDM4A | O75164 | 2/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.31 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.31 |
| ▸ | TET3 | O43151 | 1/20 | 0.31 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.30 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11111135 | 0.94 | ALDH1A1 (0.44) | ALDH1A1CYP2D6ALOX15AKR1B1HDAC2 | |
| SCHEMBL4434336 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP2D6ALOX15HDAC2PAM | |
| SCHEMBL28856409 | 0.77 | — | — | |
| SCHEMBL27849820 | 0.76 | CYP2D6 (0.44) | ALDH1A1CYP2D6ALOX15HDAC2PAM | |
| SCHEMBL8733627 | 0.73 | — | — | |
| SCHEMBL8733629 | 0.73 | — | — | |
| SCHEMBL28725974 | 0.71 | PPARG (0.56) | — | |
| SCHEMBL15013806 | 0.71 | — | — | |
| SCHEMBL15013805 | 0.71 | — | — | |
| SCHEMBL23927632 | 0.70 | — | — |
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-0012367-B1 | METHOD FOR THE PREPARATION OF VINYLGLYCOL ESTERS | BASF Aktiengesellschaft (DE) | 1981-11-11 | — | — | EP | disclosed |
| EP-0012367-A1 | Method for the preparation of vinylglycol esters | BASF Aktiengesellschaft (DE) | 1980-06-25 | — | — | EP | disclosed |