Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18805033 | 0.68 | ELANE (0.42) | ALDH1A1PTGS2 | |
| SCHEMBL19062159 | 0.67 | LMNA (0.45) | ALDH1A1CYP1A2CYP2C19KMT2ACYP3A4 | |
| SCHEMBL17064159 | 0.67 | SMN1; SMN2 (0.36) | ALDH1A1KMT2APTGS2 | |
| SCHEMBL7789538 | 0.66 | GAA (0.47) | ALDH1A1KMT2A | |
| SCHEMBL15617700 | 0.66 | TRPA1 (0.47) | HSD11B1ALDH1A1CYP2C19KMT2ACYP2D6 | |
| SCHEMBL4554083 | 0.66 | TAAR1 (0.48) | CYP2C19 | |
| SCHEMBL27911507 | 0.66 | MMP13 (0.37) | HSD11B1ALDH1A1CYP2C19KMT2A | |
| SCHEMBL437154 | 0.66 | MMP13 (0.37) | HSD11B1ALDH1A1CYP2C19KMT2A | |
| SCHEMBL8789009 | 0.66 | MMP13 (0.37) | HSD11B1ALDH1A1CYP2C19KMT2A | |
| SCHEMBL28806559 | 0.63 | MMP13 (0.39) | HSD11B1ALDH1A1CYP2C19KMT2A |
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-3057951-A1 | METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T | Janssen Pharmaceutica N.V. (BE) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015057205-A1 | METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T | JANSSEN PHARMACEUTICA NV (BE) | 2015-04-23 | — | — | WO | disclosed |