Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | CTSC | P53634 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL5509860 | 0.82 | CYP2C19 (0.47) | CYP2C19TAAR1RAB9AADRA2AADRA2B | |
| SCHEMBL5515885 | 0.82 | CYP2C19 (0.47) | CYP2C19TAAR1RAB9AADRA2AADRA2B | |
| SCHEMBL22733844 | 0.82 | CYP2C19 (0.47) | CYP2C19TAAR1RAB9ACTSCSMN1; SMN2 | |
| SCHEMBL11036100 | 0.76 | TAAR1 (0.43) | CYP2C19TAAR1RAB9AADRA2AADRA2B | |
| SCHEMBL7270476 | 0.76 | CYP2C19 (0.64) | CYP2C19RAB9ACTSCSMN1; SMN2ALDH1A1 | |
| SCHEMBL3787184 | 0.76 | TAAR1 (0.47) | CYP2C19TAAR1RAB9AADRA2AADRA2B | |
| SCHEMBL95274 | 0.74 | — | — | |
| SCHEMBL4656251 | 0.74 | — | — | |
| SCHEMBL23239462 | 0.74 | CYP2C19 (0.43) | CYP2C19TAAR1RAB9ACTSCSMN1; SMN2 | |
| SCHEMBL24017115 | 0.73 | CYP2C19 (0.55) | CYP2C19TAAR1RAB9AADRA2AADRA2B |
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-2909192-B1 | METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T | JANSSEN PHARMACEUTICA NV (BE) | 2017-05-17 | — | — | EP | disclosed |