Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | IAPP | P10997 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2928513 | 1.00 | ALDH1A1 (0.37) | ALDH1A1TSHRPTGS1FFAR3TRPA1 | |
| SCHEMBL11051216 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TSHRPTGS1FFAR3TRPA1 | |
| SCHEMBL11051211 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TSHRPTGS1FFAR3TRPA1 | |
| SCHEMBL2937333 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TRPA1TDP1HSD17B10OXER1 | |
| SCHEMBL2937331 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TRPA1TDP1HSD17B10OXER1 | |
| SCHEMBL4451959 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TSHRPTGS1TRPA1IAPP | |
| SCHEMBL4451963 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TSHRPTGS1TRPA1IAPP | |
| SCHEMBL19633528 | 0.73 | PPARA (0.45) | ALDH1A1TSHRFFAR3TRPA1TDP1 | |
| SCHEMBL2931476 | 0.73 | PTGS1 (0.43) | ALDH1A1TSHRPTGS1FFAR3ALOX15 | |
| SCHEMBL2928506 | 0.73 | PTGS1 (0.43) | ALDH1A1TSHRPTGS1FFAR3ALOX15 |
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 |