Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EED | O75530 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.34 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.34 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17064110 | 0.86 | CTNNB1 (0.43) | KDM4ECTNNB1WNT3A | |
| SCHEMBL7762910 | 0.79 | MMP3 (0.43) | ABCG2KDM4CGSK3BALDH1A1RAB9A | |
| SCHEMBL17064119 | 0.79 | EED (0.43) | ABCG2KDM4CGSK3BALDH1A1RAB9A | |
| SCHEMBL6206600 | 0.74 | ABCG2 (0.44) | ABCG2KDM4CGSK3BALDH1A1POLB | |
| SCHEMBL340702 | 0.73 | KDM4C (0.52) | ABCG2KDM4CGSK3BALDH1A1POLB | |
| SCHEMBL29442138 | 0.73 | KDM4C (0.52) | ABCG2KDM4CGSK3BALDH1A1POLB | |
| SCHEMBL23079145 | 0.71 | GSK3B (0.42) | ABCG2KDM4CGSK3BALDH1A1POLB | |
| SCHEMBL340356 | 0.71 | KDM4E (0.44) | ABCG2KDM4CGSK3BALDH1A1RAB9A | |
| SCHEMBL341608 | 0.71 | GSK3B (0.42) | ABCG2KDM4CGSK3BALDH1A1POLB | |
| SCHEMBL1720148 | 0.71 | PARP1 (0.54) | ALDH1A1RAB9APOLBMAPK1KDM4E |
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 |