Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16887675 | 0.84 | CYP1A2 (0.44) | USP2CYP1A2TDP1ALDH1A1CYP2C19 | |
| SCHEMBL6293711 | 0.82 | NSD2 (0.41) | CYP1A2TDP1ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL2716357 | 0.80 | NSD2 (0.39) | CYP1A2TDP1ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL16886311 | 0.78 | MEN1 (0.39) | USP2CYP1A2TDP1ALDH1A1CYP2C19 | |
| SCHEMBL16887537 | 0.78 | MEN1 (0.39) | USP2CYP1A2TDP1ALDH1A1CYP2C19 | |
| SCHEMBL16365925 | 0.77 | CYP1A2 (0.46) | USP2CYP1A2TDP1ALDH1A1CYP2C19 | |
| SCHEMBL584005 | 0.77 | CYP1A2 (0.46) | USP2CYP1A2TDP1ALDH1A1CYP2C19 | |
| SCHEMBL26812142 | 0.77 | CYP1A2 (0.46) | USP2CYP1A2TDP1ALDH1A1CYP2C19 | |
| SCHEMBL1527385 | 0.77 | NSD2 (0.41) | CYP1A2TDP1ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL180284 | 0.77 | F2 (0.43) | CYP1A2TDP1ALDH1A1CYP2C19MAPK1 |
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 |