Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CTSA | P10619 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1195916 | 0.85 | NPC1 (0.47) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL2563755 | 0.83 | MAPT (0.63) | KMT2AMEN1MAPTHPGDKDM4E | |
| SCHEMBL2563427 | 0.82 | KMT2A (0.48) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL716746 | 0.76 | MAPT (0.69) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL1680249 | 0.73 | NPC1 (0.45) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL5341410 | 0.71 | RAB9A (0.50) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL4298023 | 0.71 | ALDH1A1 (0.59) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL20239610 | 0.71 | KMT2A (0.70) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL10604729 | 0.70 | MAPT (0.57) | KMT2AMEN1NPC1RAB9AMAPT | |
| Ammonia Solution, Strong SCHEMBL28029770 | 0.70 | RAB9A (0.49) | KMT2AMEN1NPC1RAB9AMAPT |
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 |