Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 8/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23049684 | 0.94 | CA2 (0.46) | CA2ALDH1A1TP53POLBNPSR1 | |
| SCHEMBL23049768 | 0.87 | MMP13 (0.53) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23049636 | 0.84 | CYP3A4 (0.56) | ITGB1ITGA4CA2NPSR1CYP1A2 | |
| SCHEMBL219728 | 0.79 | EEF2K (0.55) | ALDH1A1NPSR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16880400 | 0.79 | PHGDH (0.51) | ITGB1ITGA4ALDH1A1ITGB7 | |
| SCHEMBL6932296 | 0.78 | MMP13 (0.54) | — | |
| SCHEMBL23049642 | 0.77 | CYP3A4 (0.58) | CA2TP53NPSR1CYP1A2CYP3A4 | |
| SCHEMBL1463591 | 0.76 | EEF2K (0.55) | ALDH1A1NPSR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3936342 | 0.72 | GAA (0.53) | ITGB1ITGA4ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL1464260 | 0.72 | MMP2 (0.49) | — |
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 |