Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.46 |
| ▸ | CDC42 | P60953 | 1/20 | 0.46 |
| ▸ | RAC1 | P63000 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10827924 | 0.84 | PREP (0.42) | PTGS2PTGS1PREPCA12CA1 | |
| SCHEMBL8699120 | 0.84 | PREP (0.39) | PTGS2HTR2APREP | |
| SCHEMBL1508411 | 0.83 | PREP (0.40) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL29077435 | 0.82 | PTGS1 (0.60) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL29142835 | 0.81 | PREP (0.42) | PTGS2PTGS1AKR1C3AKR1C2LMNA | |
| SCHEMBL8699124 | 0.81 | MAPT (0.40) | TSHRCYP1A2LMNAPREP | |
| SCHEMBL9686535 | 0.80 | AKR1C3 (0.43) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL4910148 | 0.80 | ACACB (0.43) | PREPNR1H4 | |
| SCHEMBL21405244 | 0.80 | PREP (0.42) | CYP2C9PREPCA12CA1CA9 | |
| SCHEMBL12855612 | 0.79 | PREP (0.44) | LMNAPREPCA12CA1CA9 |
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-4937263-A | HYDROXYMETHYLGLUTARYL-COENZYME A REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1990-06-26 | — | — | US | disclosed |
| US-4876366-A | COENZYME REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1989-10-24 | — | — | US | disclosed |
| EP-0245990-A2 | Antihypercholesterolemic compounds | MERCK & CO. INC. (US) | 1987-11-19 | — | — | EP | disclosed |