Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL2563418 | 0.88 | CYP2C9 (0.56) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL2562342 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL12264387 | 0.80 | ALDH1A1 (0.67) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL2554340 | 0.78 | KMT2A (0.56) | ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL2576433 | 0.76 | TSHR (0.47) | ALDH1A1CYP2C9CYP2C19CYP1A2NPSR1 | |
| SCHEMBL2555825 | 0.76 | PDE4D (0.63) | ALDH1A1NPSR1PDE4DHPGDKDM4E | |
| SCHEMBL23402858 | 0.73 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL12266478 | 0.72 | PDE4D (0.73) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL2919412 | 0.72 | ALDH1A1 (0.73) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL8422338 | 0.71 | ALDH1A1 (0.68) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2 |
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-2552895-B1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | Westfälische Wilhelms Universität Münster (DE) | 2015-02-25 | — | — | EP | disclosed |
| EP-2552895-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | Westfälische Wilhelms-Universität Münster (DE) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120861-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) | 2011-10-06 | — | — | WO | disclosed |