Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 5/20 | 0.37 |
| ▸ | KDR | P35968 | 5/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.37 |
| ▸ | TNNI3K | Q59H18 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26783470 | 0.84 | AR (0.47) | BRAFKDRMAPK14TNNI3KALDH1A1 | |
| SCHEMBL26783549 | 0.83 | GRM5 (0.42) | ALDH1A1GAAMEN1KMT2AJAK3 | |
| SCHEMBL23593246 | 0.80 | AR (0.37) | BRAFKDRALDH1A1GAAMEN1 | |
| SCHEMBL24117943 | 0.78 | EPHX2 (0.43) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL23593325 | 0.78 | MAPT (0.38) | GAAMEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL23593326 | 0.76 | IDO1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL23593416 | 0.76 | KDM4E (0.43) | GAAMEN1KMT2AMAPT | |
| SCHEMBL24118232 | 0.75 | EPHX2 (0.43) | MEN1KMT2ACYP2C9CYP2C19IDO1 | |
| SCHEMBL23592427 | 0.74 | IDO1 (0.56) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL24118075 | 0.73 | USP36 (0.45) | LMNASMN1; SMN2 |
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-3810116-B1 | NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-11-15 | — | — | EP | disclosed |