Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10455623 | 0.84 | CHRM1 (0.36) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL4578586 | 0.80 | CA2 (0.39) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL3262020 | 0.79 | CA2 (0.45) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL28678611 | 0.78 | CA2 (0.38) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL27573194 | 0.78 | CA2 (0.38) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL5926319 | 0.78 | HSPD1 (0.35) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL739847 | 0.77 | HSPD1 (0.37) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL276534 | 0.77 | CA2 (0.41) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL2631146 | 0.77 | CA2 (0.41) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL12891264 | 0.77 | CA2 (0.41) | CA2MAPK1HSPD1BLMHSPE1 |
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-1695088-B1 | METHOD FOR ANALYSING METABOLITES | MAX PLANCK GESELLSCHAFT (DE) | 2012-04-18 | — | — | EP | disclosed |
| EP-1695088-A1 | METHOD FOR ANALYSING METABOLITES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005059556-A1 | METHOD FOR ANALYSING METABOLITES | MAX PLANCK GESELLLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2005-06-30 | — | — | WO | disclosed |