Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 9/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.41 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL2561700 | 0.81 | CACNA2D1 (0.44) | ALDH1A1KDM4EMAPTPOLBTDP1 | |
| SCHEMBL12264807 | 0.81 | MAPT (0.52) | ALDH1A1KDM4EMAPTHTTL3MBTL1 | |
| SCHEMBL16500135 | 0.80 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPTLMNATDP1 | |
| SCHEMBL14482219 | 0.77 | TDP1 (0.54) | ALDH1A1KDM4EMAPTHTTL3MBTL1 | |
| SCHEMBL16500300 | 0.69 | PDE4B (0.38) | ALDH1A1KDM4EMAPTHTTL3MBTL1 | |
| SCHEMBL14079407 | 0.69 | NPC1 (0.52) | ALDH1A1KDM4EMAPTHTTL3MBTL1 | |
| SCHEMBL11041232 | 0.68 | KMT2A (0.49) | ALDH1A1KDM4EMAPTHTTL3MBTL1 | |
| SCHEMBL2559798 | 0.68 | SLC34A1 (0.49) | ALDH1A1KDM4EHTTLMNA | |
| SCHEMBL16692998 | 0.68 | MAPT (0.61) | ALDH1A1KDM4EMAPTHTTL3MBTL1 | |
| SCHEMBL20037027 | 0.67 | ALDH1A1 (0.75) | ALDH1A1KDM4EMAPTHTTL3MBTL1 |
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 |