Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 2/20 | 0.60 |
| ▸ | RPA1 | P27694 | 6/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.56 |
| ▸ | MDM2 | Q00987 | 4/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.52 |
| ▸ | BCL2 | P10415 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1738076 | 0.84 | MARS1 (0.64) | MARS1RPA1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL1738072 | 0.83 | MARS1 (0.63) | MARS1KDM4ESMPD1MDM2MCL1 | |
| SCHEMBL4692489 | 0.81 | MARS1 (0.60) | MARS1RPA1ALDH1A1L3MBTL1MDM2 | |
| SCHEMBL8366708 | 0.80 | RPA1 (0.65) | MARS1RPA1ALDH1A1KDM4EGAA | |
| SCHEMBL24409059 | 0.79 | KDM4E (0.44) | RPA1ALDH1A1KDM4EGAAL3MBTL1 | |
| SCHEMBL9056282 | 0.79 | RPA1 (0.90) | MARS1RPA1L3MBTL1MDM2MCL1 | |
| SCHEMBL8369155 | 0.79 | RPA1 (0.54) | MARS1RPA1ALDH1A1KDM4EGAA | |
| Hydrochloric Acid SCHEMBL8369158 | 0.78 | RPA1 (0.53) | MARS1RPA1ALDH1A1KDM4EGAA | |
| SCHEMBL8368115 | 0.77 | RPA1 (0.55) | MARS1RPA1ALDH1A1KDM4EGAA | |
| SCHEMBL8377695 | 0.77 | MAPT (0.45) | ALDH1A1KDM4ESMPD1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |