Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CCL2 | P13500 | 1/20 | 0.38 |
| ▸ | GCK | P35557 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | PSIP1 | O75475 | 2/20 | 0.34 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL16888062 | 0.86 | ALDH1A1 (0.41) | BRD4CCL2GCKKDM4EALDH1A1 | |
| SCHEMBL16888067 | 0.81 | CA12 (0.43) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL23520539 | 0.76 | KDM4E (0.39) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL4956341 | 0.66 | TSHR (0.54) | KMT2APSMB1PSMB5LMNA | |
| SCHEMBL13073588 | 0.65 | LMNA (0.42) | KDM4EALDH1A1KMT2ALMNA | |
| SCHEMBL16880298 | 0.65 | PSIP1 (0.47) | CA2KDM4EGAAALDH1A1RORC | |
| SCHEMBL5724529 | 0.62 | TDP1 (0.45) | KDM4EGAAALDH1A1KMT2APSIP1 | |
| SCHEMBL11196949 | 0.62 | GAA (0.53) | GAAALDH1A1PSIP1LMNA | |
| SCHEMBL29503157 | 0.62 | GAA (0.53) | GAAALDH1A1PSIP1LMNA | |
| SCHEMBL16799139 | 0.61 | KIF11 (0.47) | BRD4CCL2CA1CA2CA9 |
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-2015101928-A1 | FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-07-09 | — | — | WO | disclosed |