Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 7/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | ALKBH3 | Q96Q83 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HEXA | P06865 | 1/20 | 0.36 |
| ▸ | HEXB | P07686 | 1/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.35 |
| ▸ | PTGFR | P43088 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 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 | |
|---|---|---|---|---|
| SCHEMBL16460893 | 0.87 | RORC (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL15648267 | 0.87 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL16460911 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL16462100 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL21574763 | 0.76 | RORC (0.47) | RORC | |
| SCHEMBL15647927 | 0.75 | RORC (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL21574674 | 0.73 | RORC (0.51) | RORC | |
| SCHEMBL15647695 | 0.73 | RORC (0.63) | RORC | |
| SCHEMBL21076045 | 0.73 | RORC (0.39) | RORCNT5EALKBH3MBOAT4 | |
| SCHEMBL21574734 | 0.72 | VKORC1 (0.50) | RORCALKBH3SMN1; SMN2HEXAHEXB |
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-3057951-B1 | METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T | JANSSEN PHARMACEUTICA NV (BE) | 2019-11-20 | — | — | EP | disclosed |