Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28050591 | 1.00 | CYP2C19 (0.37) | CYP2C19ALDH1A1MEN1KMT2ACA1 | |
| SCHEMBL13176726 | 0.81 | ALDH1A1 (0.33) | CYP2C19ALDH1A1MEN1KMT2ACA1 | |
| SCHEMBL1245775 | 0.69 | ESR2 (0.36) | CYP2C19ALDH1A1CA1CA2CA4 | |
| SCHEMBL14278527 | 0.69 | ESR2 (0.36) | CYP2C19ALDH1A1CA1CA2CA4 | |
| SCHEMBL22882350 | 0.69 | ESR2 (0.36) | CYP2C19ALDH1A1CA1CA2CA4 | |
| SCHEMBL30009202 | 0.68 | CYP2C19 (0.39) | CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL12683689 | 0.68 | HSP90AA1 (0.36) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| Acetic Acid SCHEMBL28759584 | 0.67 | SMN1; SMN2 (0.38) | CYP2C19ALDH1A1CA1CA2CA4 | |
| SCHEMBL12683798 | 0.67 | TRPA1 (0.36) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL19592405 | 0.66 | ALOX15 (0.35) | CYP2C19ALDH1A1CA1CA2CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |