Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2560863 | 0.91 | ALDH1A1 (0.55) | MEN1KMT2AALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL2557760 | 0.90 | MEN1 (0.48) | MEN1KMT2AALDH1A1MAPTRAB9A | |
| SCHEMBL2557580 | 0.90 | KMT2A (0.48) | MEN1KMT2AALDH1A1TSHRMAPT | |
| SCHEMBL16500135 | 0.87 | ALDH1A1 (0.51) | MEN1KMT2AALDH1A1MAPTRAB9A | |
| SCHEMBL2554340 | 0.87 | KMT2A (0.56) | MEN1KMT2AALDH1A1TSHRMAPT | |
| SCHEMBL16500067 | 0.83 | TP53 (0.48) | MEN1KMT2AALDH1A1MAPTNPSR1 | |
| SCHEMBL2561201 | 0.83 | MEN1 (0.42) | MEN1KMT2AALDH1A1TSHRMAPT | |
| SCHEMBL2557260 | 0.83 | KDM4E (0.48) | MEN1KMT2AALDH1A1TSHRMAPT | |
| SCHEMBL2560670 | 0.81 | KMT2A (0.43) | MEN1KMT2AALDH1A1TSHRMAPT | |
| SCHEMBL2576433 | 0.80 | TSHR (0.47) | MEN1KMT2AALDH1A1TSHRMAPT |
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 |