Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.64 |
| ▸ | ACP1 | P24666 | 1/20 | 0.64 |
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.64 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.64 |
| ▸ | PNPO | Q9NVS9 | 1/20 | 0.63 |
| ▸ | SGPL1 | O95470 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PDXK | O00764 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | YWHAG | P61981 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL43880 | 0.88 | ESR1 (0.64) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| SCHEMBL29384180 | 0.88 | ESR1 (0.64) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| Pyridoxamine Phosphate Anhydrous SCHEMBL29619879 | 0.87 | ESR1 (0.63) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| Pyridoxamine Phosphate Anhydrous SCHEMBL43832 | 0.87 | ESR1 (0.63) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| Hydrochloric Acid SCHEMBL14331173 | 0.87 | ESR1 (0.63) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| SCHEMBL16420385 | 0.87 | ESR1 (0.63) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| Ammonia Solution, Strong SCHEMBL31241292 | 0.87 | ESR1 (0.63) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| Water SCHEMBL371432 | 0.87 | ESR1 (0.63) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| Pyridoxamine Phosphate Anhydrous SCHEMBL10942609 | 0.86 | ESR1 (0.61) | ESR1PTGS1ACP1PDE4AP2RX1 | |
| SCHEMBL16424698 | 0.85 | P2RX2 (0.67) | ESR1PTGS1ACP1PDE4AP2RX1 |
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 |