Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21730583 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10USP2CYP3A4 | |
| SCHEMBL21729771 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10USP2ALOX5 | |
| SCHEMBL3506512 | 0.79 | ALDH1A1 (0.54) | ALDH1A1KDM4EHSD17B10USP2ALOX5 | |
| SCHEMBL414949 | 0.76 | — | — | |
| SCHEMBL6480789 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10USP2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL29199448 | 0.74 | — | — | |
| SCHEMBL19185911 | 0.74 | ALDH1A1 (0.45) | ALDH1A1KDM4EHSD17B10USP2CYP3A4 | |
| SCHEMBL2337625 | 0.73 | ALDH1A1 (0.44) | ALDH1A1KDM4EHSD17B10USP2CYP3A4 | |
| SCHEMBL11483645 | 0.73 | ALDH1A1 (0.44) | ALDH1A1KDM4EHSD17B10USP2ALOX5 | |
| SCHEMBL256700 | 0.72 | — | — |
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-2020034062-A1 | PROCESS FOR THE REDUCTIVE AMINATION OF A CARBONYL COMPOUND | RHODIA OPERATIONS (FR) | 2020-02-20 | — | — | WO | disclosed |
| WO-2020034057-A1 | PROCESS FOR REDUCTIVE AMINATION OF α, β-UNSATURATED KETONE | RHODIA OPERATIONS (FR) | 2020-02-20 | — | — | WO | disclosed |