Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 9/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 5/20 | 0.41 |
| ▸ | FABP2 | P12104 | 2/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406331 | 0.88 | PPARA (0.54) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL7406841 | 0.79 | PPARA (0.51) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL7404612 | 0.77 | PPARA (0.42) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL10436911 | 0.76 | TAAR1 (0.49) | PPARA | |
| SCHEMBL28193083 | 0.75 | MAPT (0.41) | PPARAMAPTKMT2APPARGPPARD | |
| SCHEMBL11067259 | 0.74 | OPRK1 (0.59) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL626124 | 0.73 | PPARA (0.70) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL26135414 | 0.72 | PPARG (0.45) | PPARAMAPTPPARGALDH1A1PPARD | |
| SCHEMBL27493501 | 0.72 | PARP10 (0.38) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL11750863 | 0.72 | PPARA (0.50) | PPARACYP1A2CYP3A4ABCB11TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900207-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| EP-0923372-A4 | PYRIDINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-0923372-A1 | PYRIDINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-06-23 | — | — | EP | disclosed |
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| US-5866573-A | Pyrazinone thrombin inhibitors | MERCK & CO., INC. (US) | 1999-02-02 | — | — | US | disclosed |
| US-5792779-A | CARDIOVASCULAR DISORDERS; ANGINA | MERCK & CO., INC. (US) | 1998-08-11 | — | — | US | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |
| WO-1997030708-A1 | PYRIDINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-08-28 | — | — | WO | disclosed |