Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 1/20 | 0.53 |
| ▸ | RPA1 | P27694 | 3/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 6/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.44 |
| ▸ | BCL2 | P10415 | 4/20 | 0.44 |
| ▸ | GCGR | P47871 | 6/20 | 0.43 |
| ▸ | GIPR | P48546 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL2420949 | 0.84 | FAAH (0.47) | MARS1GCGR | |
| SCHEMBL27673248 | 0.82 | MARS1 (0.55) | MARS1RPA1AURKATPX2MDM2 | |
| SCHEMBL2428128 | 0.78 | GCGR (0.40) | MARS1GCGRGIPR | |
| SCHEMBL27653326 | 0.77 | GCGR (0.46) | AURKATPX2GCGRGIPRAKR1C2 | |
| SCHEMBL115393 | 0.70 | MARS1 (1.00) | MARS1RPA1L3MBTL1 | |
| SCHEMBL11902926 | 0.69 | ALDH1A1 (0.67) | AURKATPX2AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL16876821 | 0.69 | MARS1 (0.60) | MARS1RPA1MDM2MCL1BCL2 | |
| SCHEMBL31696577 | 0.68 | KDM4E (0.43) | KDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL5123658 | 0.68 | AURKA (0.51) | AURKATPX2AKR1C2AKR1C1KDM4E | |
| SCHEMBL21001359 | 0.68 | ADORA3 (0.61) | AURKATPX2MCL1AKR1C2AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1946698-B | Pyrazole phenyl derivatives as ppar activators | HOFFMANN LA ROCHE | 2010-12-01 | — | — | CN | disclosed |
| CN-100467463-C | Pyrazolylindolyl derivatives as PPAR activators | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | CN | disclosed |
| CN-1946698-A | Pyrazole phenyl derivatives as ppar activators | HOFFMANN LA ROCHE (CH) | 2007-04-11 | — | — | CN | disclosed |
| CN-1930150-A | Pyrazolyl indolyl derivatives as PPAR activators | HOFFMANN LA ROCHE (CH) | 2007-03-14 | — | — | CN | disclosed |