Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8664715 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL10446059 | 0.76 | SMN1; SMN2 (0.42) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL28319067 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL28680769 | 0.72 | ALDH1A1 (0.40) | KDM4EALDH1A1SMN1; SMN2RAB9APDCD1 | |
| SCHEMBL18375349 | 0.72 | LMNA (0.42) | CYP19A1CYP2D6EDNRBEDNRAADRA1A | |
| SCHEMBL1272888 | 0.71 | CYP1A2 (0.44) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL12681544 | 0.71 | SMN1; SMN2 (0.51) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL1957859 | 0.70 | CYP1A2 (0.46) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL27471000 | 0.70 | CYP1A2 (0.46) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL28320154 | 0.70 | CYP1A2 (0.57) | CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6 |
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-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |