Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL4293137 | 0.84 | EHMT2 (0.45) | AGTR2MEN1KMT2ATSHRGSK3A | |
| SCHEMBL18389129 | 0.76 | GLA (0.50) | ALDH1A1KMT2AL3MBTL1SMN1; SMN2CYP2C19 | |
| SCHEMBL17951053 | 0.76 | ALDH1A1 (0.62) | GRM2ALDH1A1USP2MEN1KMT2A | |
| SCHEMBL19974920 | 0.76 | ALDH1A1 (0.62) | GRM2ALDH1A1USP2MEN1KMT2A | |
| SCHEMBL11293011 | 0.73 | MEN1 (0.41) | ALDH1A1SLC5A1MEN1KMT2AGAA | |
| SCHEMBL5552929 | 0.72 | GRM2 (0.58) | GRM2AGTR2USP2MEN1KMT2A | |
| SCHEMBL5367420 | 0.72 | GRM2 (0.58) | GRM2AGTR2USP2MEN1KMT2A | |
| SCHEMBL5366583 | 0.72 | GRM2 (0.58) | GRM2AGTR2USP2MEN1KMT2A | |
| SCHEMBL27922960 | 0.72 | MTNR1A (0.51) | — | |
| SCHEMBL16139823 | 0.72 | HTR2C (0.42) | AGTR2ALDH1A1SMN1; SMN2S1PR5CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427429-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS | Abbott GmbH & Co. KG (DE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128102-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS | ABBOTT GMBH & CO. KG (DE) | 2010-11-11 | — | — | WO | disclosed |