Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL15648040 | 0.80 | TAAR1 (0.37) | — | |
| SCHEMBL7789538 | 0.80 | GAA (0.47) | — | |
| SCHEMBL5880960 | 0.72 | PTGS2 (0.35) | KCNJ1KCNH2PTGS2PTGS1 | |
| SCHEMBL15647578 | 0.67 | GLA (0.61) | PTGS2PTGS1 | |
| SCHEMBL5708886 | 0.66 | PTPN1 (0.33) | — | |
| SCHEMBL6793165 | 0.66 | CA2 (0.67) | KCNJ1KCNH2PTGS2 | |
| SCHEMBL14498192 | 0.65 | PTGS2 (0.43) | KCNJ1KCNH2PTGS2 | |
| SCHEMBL27890820 | 0.65 | CA1 (0.50) | PTGS2 | |
| SCHEMBL1434498 | 0.64 | CA2 (0.64) | KCNJ1KCNH2PTGS2 | |
| SCHEMBL6581495 | 0.64 | ENPP2 (0.46) | KCNJ1KCNH2PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3057421-A1 | ALKYL LINKED QUINOLINYL MODULATORS OF ROR(GAMMA)T | Janssen Pharmaceutica, N.V. (BE) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015057629-A1 | ALKYL LINKED QUINOLINYL MODULATORS OF RORyt | JANSSEN PHARMACEUTICA NV (BE) | 2015-04-23 | — | — | WO | disclosed |