Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14926861 | 0.98 | ALDH1A1 (0.58) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL12275693 | 0.89 | TSHR (0.42) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL22689123 | 0.89 | TSHR (0.42) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL3393335 | 0.83 | HTR2C (0.60) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL2593332 | 0.83 | TSHR (0.38) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL26756098 | 0.83 | TSHR (0.38) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL13713461 | 0.83 | TSHR (0.38) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL20801668 | 0.83 | TSHR (0.38) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL18274688 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TSHRTHRBHTR2CDGKA | |
| SCHEMBL2303872 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRTHRBHTR2CDGKA |
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-3596064-B1 | TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2021-03-03 | — | — | EP | disclosed |