Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 2/20 | 0.49 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.45 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.45 |
| ▸ | RPA1 | P27694 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL14800200 | 0.86 | MAPT (0.53) | ALDH1A1HPGDHSD17B10TP53KDM4E | |
| SCHEMBL1739256 | 0.83 | MARS1 (0.53) | MARS1RPA1AURKARPS6KB1ALDH1A1 | |
| SCHEMBL15862514 | 0.82 | MARS1 (0.47) | MARS1RPA1ALDH1A1NPC1RAB9A | |
| SCHEMBL1739614 | 0.81 | MARS1 (0.60) | MARS1SLC16A3SLC16A1RPA1AURKA | |
| SCHEMBL1739325 | 0.81 | MARS1 (0.51) | MARS1RPA1AURKARPS6KB1ALDH1A1 | |
| SCHEMBL10049058 | 0.80 | CA1 (0.56) | SLC16A3SLC16A1ALDH1A1NPC1RAB9A | |
| SCHEMBL1738076 | 0.79 | MARS1 (0.64) | MARS1RPA1ALDH1A1MDM2BCL2 | |
| SCHEMBL1739786 | 0.78 | KMO (0.49) | MARS1RPA1AURKARPS6KB1ALDH1A1 | |
| SCHEMBL8373919 | 0.78 | HSD17B10 (0.46) | SLC16A3SLC16A1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL3434182 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HPGDHSD17B10MDM2TP53 |
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-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 |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |