Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | DHODH | Q02127 | 6/20 | 0.39 |
| ▸ | PTGFR | P43088 | 3/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | FES | P07332 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18520709 | 0.87 | GRM2 (0.42) | GRM2DHODHPTGFRADORA2AADORA1 | |
| SCHEMBL18520517 | 0.83 | GRM2 (0.40) | GRM2DHODHADORA2AADORA1ROCK1 | |
| SCHEMBL21100959 | 0.83 | GRM2 (0.50) | GRM2ADORA2AADORA1BRD4GAA | |
| SCHEMBL18520705 | 0.81 | GRM2 (0.39) | GRM2DHODHPTGFRADORA2AADORA1 | |
| SCHEMBL18520754 | 0.81 | CYP1A2 (0.42) | GRM2DHODHADORA2AADORA1GAA | |
| SCHEMBL18520544 | 0.81 | GRM2 (0.38) | GRM2DHODHADORA2AADORA1KDR | |
| SCHEMBL18520542 | 0.81 | KDM4E (0.39) | GRM2DHODHADORA2AADORA1GAA | |
| SCHEMBL18520536 | 0.80 | ALDH1A1 (0.40) | GRM2DHODHADORA2AADORA1DHFR | |
| SCHEMBL18520426 | 0.79 | DHODH (0.39) | GRM2DHODHPTGFRADORA2AADORA1 | |
| SCHEMBL18520700 | 0.79 | PIM2 (0.40) | GRM2DHODHADORA2AADORA1DYRK3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017027768-A1 | COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS | THE BROAD INSTITUTE, INC. (US) | 2017-02-16 | — | — | WO | disclosed |