Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 11/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 5/20 | 0.48 |
| ▸ | FABP2 | P12104 | 2/20 | 0.48 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7406841 | 0.88 | PPARA (0.51) | PPARACYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL7380174 | 0.88 | PPARA (0.48) | PPARACYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL26135414 | 0.85 | PPARG (0.45) | PPARAMAPTPPARGPPARDALDH1A1 | |
| SCHEMBL11067259 | 0.83 | OPRK1 (0.59) | PPARACYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL11750863 | 0.81 | PPARA (0.50) | PPARACYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL3500736 | 0.76 | PPARA (0.68) | PPARACYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL7820411 | 0.76 | PPARA (0.48) | PPARACYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL23754112 | 0.74 | PPARG (0.45) | PPARACYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL27571634 | 0.73 | GAA (0.44) | PPARACYP1A2CYP3A4MEN1CYP2D6 | |
| SCHEMBL11763480 | 0.73 | PPARG (0.44) | PPARACYP1A2CYP3A4MEN1CYP2D6 |
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-0900207-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | 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 |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |