Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.52 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.52 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 8/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4635639 | 0.92 | HCRTR1 (0.47) | HCRTR1HCRTR2PTGDR2CYP2C9CYP3A4 | |
| SCHEMBL4635262 | 0.92 | HCRTR1 (0.55) | HCRTR1HCRTR2PTGDR2CYP2C9CYP3A4 | |
| SCHEMBL2585096 | 0.82 | HCRTR2 (0.74) | HCRTR1HCRTR2PTGDR2CYP2C9CYP3A4 | |
| SCHEMBL4636277 | 0.79 | HCRTR1 (0.43) | HCRTR1HCRTR2PTGDR2KDM4EALDH1A1 | |
| SCHEMBL4635636 | 0.79 | HCRTR1 (0.52) | HCRTR1HCRTR2PTGDR2CYP2C9CYP3A4 | |
| SCHEMBL2594270 | 0.77 | HCRTR2 (0.75) | HCRTR1HCRTR2PTGDR2CYP2C9CYP3A4 | |
| SCHEMBL2584748 | 0.75 | HCRTR2 (0.63) | HCRTR1HCRTR2PTGDR2CYP2C9CYP3A4 | |
| SCHEMBL4635948 | 0.74 | ALDH1A1 (0.66) | KDM4EALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL4635560 | 0.72 | PTGDR2 (0.46) | HCRTR1HCRTR2PTGDR2CYP2C9CYP3A4 | |
| SCHEMBL2770132 | 0.72 | ABCB1 (0.44) | PTGDR2CYP2C9PTGDRALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011138266-A1 | INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | EVOTEC AG (DE) | 2011-11-10 | — | — | WO | disclosed |