Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL1903665 | 0.75 | AKR1C3 (0.59) | CYP3A4CYP2C9CYP1A2MEN1KMT2A | |
| SCHEMBL11444719 | 0.73 | CES2 (0.45) | CYP3A4PDE2ACYP2C9CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL2763475 | 0.73 | AKR1C3 (0.58) | CYP3A4CYP2C9CYP1A2MEN1KMT2A | |
| SCHEMBL23892021 | 0.73 | SMN1; SMN2 (0.38) | CYP3A4PDE2ACYP2C9CYP1A2MEN1 | |
| SCHEMBL26495295 | 0.73 | CYP3A4 (0.42) | CYP3A4PDE2ACYP2C9CYP1A2MEN1 | |
| SCHEMBL26697470 | 0.71 | PPARG (0.48) | CYP3A4CYP2C9CYP1A2MEN1KMT2A | |
| SCHEMBL21573071 | 0.71 | HRH3 (0.37) | CYP3A4CYP2C9CYP1A2MEN1KMT2A | |
| SCHEMBL10073359 | 0.70 | PDE2A (0.56) | PDE2ACES2CES1 | |
| SCHEMBL15387995 | 0.70 | PDE2A (0.56) | PDE2ACES2CES1 | |
| SCHEMBL478137 | 0.70 | PDE2A (0.56) | PDE2ACES2CES1 |
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-3057950-B1 | PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T | JANSSEN PHARMACEUTICA NV (BE) | 2020-12-02 | — | — | EP | disclosed |