Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 7/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | FABP2 | P12104 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL23903398 | 0.79 | PPARA (0.66) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL13983702 | 0.71 | PPARA (0.56) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL11107881 | 0.69 | MEN1 (0.44) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL12426828 | 0.69 | PPARA (0.45) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL11071169 | 0.69 | OPRK1 (0.76) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL196858 | 0.68 | ELANE (0.68) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL11643674 | 0.68 | PPARA (0.70) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL626124 | 0.68 | PPARA (0.70) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL6061342 | 0.68 | PPARA (0.70) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL196705 | 0.68 | PPARA (0.57) | PPARACYP3A4CYP1A2CYP2C19CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1222909-A | Pyrazinone thrombin inhibitors | MERCK & CO INC (US) | 1999-07-14 | — | — | CN | disclosed |