Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | CPA1 | P15085 | 2/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL6067688 | 1.00 | MME (0.42) | MMEACECPA1ACE2ALDH1A1 | |
| SCHEMBL5516454 | 0.82 | HDAC1 (0.39) | MMEACECPA1ACE2ALDH1A1 | |
| SCHEMBL20218222 | 0.82 | HDAC1 (0.39) | MMEACECPA1ACE2ALDH1A1 | |
| SCHEMBL6408902 | 0.79 | LDHA (0.35) | MMEACECPA1ACE2ALDH1A1 | |
| SCHEMBL3440971 | 0.79 | LDHA (0.35) | MMEACECPA1ACE2ALDH1A1 | |
| SCHEMBL6067696 | 0.79 | CA2 (0.41) | ACE2ALDH1A1TSHR | |
| SCHEMBL6067703 | 0.79 | CA2 (0.41) | ACE2ALDH1A1TSHR | |
| SCHEMBL13587628 | 0.77 | ALDH1A1 (0.34) | MMEACECPA1ACE2ALDH1A1 | |
| Malonic Acid SCHEMBL28314619 | 0.77 | LDHA (0.50) | MMEACECPA1ACE2ALDH1A1 | |
| SCHEMBL16108377 | 0.77 | LDHA (0.42) | ALDH1A1LDHASRRFFAR3LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006100606-A2 | PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION | WARNER-LAMBERT COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |