Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6067620 | 0.81 | CES1 (0.48) | ALDH1A1KMT2AL3MBTL1MEN1HDAC8 | |
| SCHEMBL6067632 | 0.81 | MMP8 (0.49) | ALDH1A1KEAP1KMT2AL3MBTL1HTT | |
| SCHEMBL27616806 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KEAP1KMT2AL3MBTL1HTT | |
| SCHEMBL6067640 | 0.81 | ALDH1A1 (0.39) | ALDH1A1KEAP1KMT2AL3MBTL1HTT | |
| SCHEMBL6067718 | 0.78 | ALDH1A1 (0.46) | ALDH1A1KEAP1KMT2AL3MBTL1HTT | |
| SCHEMBL28410796 | 0.74 | ALDH1A1 (0.57) | ALDH1A1KEAP1KMT2AL3MBTL1HTT | |
| SCHEMBL8153818 | 0.73 | ALDH1A1 (0.61) | ALDH1A1KEAP1KMT2AL3MBTL1HTT | |
| SCHEMBL5598351 | 0.73 | ALDH1A1 (0.61) | ALDH1A1KEAP1KMT2AL3MBTL1HTT | |
| SCHEMBL20973256 | 0.73 | CES1 (0.49) | ALDH1A1KEAP1HTTFFAR1POLB | |
| SCHEMBL28913550 | 0.72 | ALDH1A1 (0.59) | ALDH1A1KEAP1KMT2AL3MBTL1HTT |
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-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 | claimed |
| 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 |