Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | DRD1 | P21728 | 4/20 | 0.33 |
| ▸ | DRD5 | P21918 | 4/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10280055 | 0.87 | CYP2C19 (0.41) | DRD2DRD1DRD5DRD3CYP2C19 | |
| SCHEMBL17298715 | 0.74 | SMARCA4 (0.30) | — | |
| SCHEMBL31326619 | 0.74 | TSHR (0.41) | DRD1 | |
| SCHEMBL192283 | 0.74 | TSHR (0.41) | DRD1NPSR1 | |
| SCHEMBL1017552 | 0.73 | POLB (0.43) | — | |
| SCHEMBL928673 | 0.72 | TSHR (0.40) | DRD1 | |
| SCHEMBL15697556 | 0.72 | TRPV1 (0.45) | — | |
| SCHEMBL404362 | 0.70 | CYP2C19 (0.42) | CYP2C19ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL1497228 | 0.69 | P2RX7 (0.42) | — | |
| SCHEMBL5859424 | 0.69 | CYP2C19 (0.41) | HTR2CCYP2C19ADRA2AADRA2BADRA2C |
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-2024368-B1 | 6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPIN-4-YL]-AMINE DERIVATIVES AS MODULATORS OF TRPV1 FOR THE TREATMENT OF PAIN | JANSSEN PHARMACEUTICA NV (BE) | 2014-04-30 | — | — | EP | disclosed |