Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PLEC | Q15149 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 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 | |
|---|---|---|---|---|
| SCHEMBL15679087 | 0.91 | POLB (0.33) | TSHRALDH1A1GAAPOLBNPSR1 | |
| SCHEMBL4156487 | 0.81 | POLB (0.43) | TSHRALDH1A1GAAPOLBNPSR1 | |
| SCHEMBL31629763 | 0.79 | TSHR (0.41) | TSHRALDH1A1GAARAB9APOLB | |
| SCHEMBL2302371 | 0.79 | HCAR2 (0.39) | TSHRALDH1A1RAB9AMEN1MAPT | |
| SCHEMBL15658014 | 0.79 | TSHR (0.38) | TSHRALDH1A1GAAPOLBNPSR1 | |
| SCHEMBL18274690 | 0.79 | ALDH1A1 (0.35) | ALDH1A1GAAPOLBNPSR1MAPT | |
| SCHEMBL21305791 | 0.78 | ALDH1A1 (0.54) | TSHRALDH1A1POLBMAPTTHRB | |
| SCHEMBL4608266 | 0.77 | TSHR (0.44) | TSHRALDH1A1GAARAB9APOLB | |
| SCHEMBL18842478 | 0.77 | TSHR (0.39) | TSHRALDH1A1GAAPOLBNPSR1 | |
| SCHEMBL14280608 | 0.77 | TSHR (0.39) | TSHRALDH1A1GAAPOLBNPSR1 |
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 |