Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9003513 | 1.00 | CES1 (0.50) | CES1CES2AKR1B1HIF1ACTBP2 | |
| SCHEMBL5814056 | 0.88 | CES1 (0.50) | CES1CES2AKR1B1HIF1ACTBP2 | |
| SCHEMBL11109782 | 0.83 | CES1 (0.54) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL3881031 | 0.83 | CES1 (0.64) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL384894 | 0.83 | CES1 (0.64) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL384895 | 0.83 | CES1 (0.64) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL14047411 | 0.82 | EPHX2 (0.44) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL9003128 | 0.82 | ALDH1A1 (0.44) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL9003133 | 0.82 | ALDH1A1 (0.44) | CES1CES2AKR1B1HIF1AALDH1A1 | |
| SCHEMBL166471 | 0.82 | CES1 (0.52) | CES1CES2AKR1B1CTBP2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0326389-B1 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES (JP) | 1996-09-11 | — | — | EP | claimed |
| US-4997837-A | Enzyme inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| US-4906624-A | 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1990-03-06 | — | — | US | disclosed |
| EP-0306929-A2 | 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |