Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.45 |
| ▸ | BAD | Q92934 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870976 | 1.00 | CES2 (0.58) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL9540488 | 0.81 | CES2 (0.56) | CES2CES1CA1CA2MAPT | |
| SCHEMBL6529813 | 0.81 | CES2 (0.56) | CES2CES1CA1CA2MAPT | |
| SCHEMBL8113982 | 0.79 | CES2 (0.54) | CES2CES1CA1CA2MAPT | |
| SCHEMBL8115299 | 0.79 | CES2 (0.54) | CES2CES1CA1CA2MAPT | |
| SCHEMBL8119225 | 0.79 | CES2 (0.54) | CES2CES1CA1CA2MAPT | |
| SCHEMBL15180835 | 0.78 | CES2 (0.75) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL263831 | 0.78 | CES2 (0.75) | CES2CES1BCL2L1BADCA1 | |
| SCHEMBL7913680 | 0.78 | KMT2A (0.54) | CES2CES1MAPTCYP1A2CYP2C19 | |
| SCHEMBL7942173 | 0.75 | ALDH1A1 (0.56) | CES2CES1BCL2L1BADCA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |