Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6400373 | 1.00 | CES2 (0.58) | CES2CES1PSEN1PSEN2APH1B | |
| SCHEMBL8229151 | 0.83 | CES2 (0.55) | CES2CES1NPC1RAB9APOLB | |
| SCHEMBL20899675 | 0.83 | CPS1 (0.44) | CES2CES1RAB9A | |
| SCHEMBL31560789 | 0.83 | CES2 (0.46) | CES2CES1PSEN1PSEN2APH1B | |
| SCHEMBL31117167 | 0.83 | CES2 (0.46) | CES2CES1PSEN1PSEN2APH1B | |
| SCHEMBL31147903 | 0.82 | CES2 (0.40) | CES2CES1PSEN1PSEN2APH1B | |
| SCHEMBL4533837 | 0.81 | CES2 (0.45) | CES2CES1PSEN1PSEN2APH1B | |
| SCHEMBL15670693 | 0.81 | CES2 (0.45) | CES2CES1PSEN1PSEN2APH1B | |
| SCHEMBL2915473 | 0.80 | CES2 (0.64) | CES2CES1SMN1; SMN2GAARECQL | |
| SCHEMBL5082189 | 0.80 | CES2 (0.35) | CES2CES1PSEN1PSEN2APH1B |
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-0816316-A1 | PROCESS FOR PRODUCING 1,2-ETHANEDIOL DERIVATIVES | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-01-07 | — | — | EP | disclosed |
| US-5583147-A | INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-10 | — | — | US | disclosed |