Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 2/20 | 0.35 |
| ▸ | ADH1C | P00326 | 2/20 | 0.35 |
| ▸ | ADH1A | P07327 | 2/20 | 0.35 |
| ▸ | ADH7 | P40394 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 4/20 | 0.32 |
| ▸ | CES1 | P23141 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2492779 | 0.77 | — | — | |
| SCHEMBL19527248 | 0.75 | EPHX1 (0.61) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL7041700 | 0.75 | EPHX1 (0.61) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL20036343 | 0.75 | EPHX1 (0.61) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL1899064 | 0.74 | — | — | |
| SCHEMBL226036 | 0.74 | CES2 (0.52) | CES2GMNNTP53POLBMAPT | |
| SCHEMBL31357726 | 0.73 | TSHR (0.50) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL948108 | 0.73 | TSHR (0.50) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL24370114 | 0.71 | THRB (0.57) | CES2GMNNTP53POLBMAPT | |
| SCHEMBL199011 | 0.71 | THRB (0.57) | CES2GMNNTP53POLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3269718-A1 | PROCESS FOR THE DEPROTECTION OF A CARBAPENEM BY HETEROGENEOUS CATALYTIC HYDROGENATION WITH HYDROGEN IN THE PRESENCE OF AN ORGANIC AMINE | Evonik Degussa GmbH (DE) | 2018-01-17 | — | — | EP | disclosed |