Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 4/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | JMJD6 | Q6NYC1 | 3/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | CCR8 | P51685 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612935 | 0.84 | HCRTR2 (0.38) | HCRTR2HCRTR1 | |
| SCHEMBL16612850 | 0.82 | HCRTR2 (0.38) | HCRTR2HCRTR1ALDH1A1 | |
| SCHEMBL16612782 | 0.79 | HCRTR2 (0.39) | HCRTR2HCRTR1PPARG | |
| SCHEMBL16612877 | 0.78 | HCRTR2 (0.35) | HCRTR2 | |
| SCHEMBL16612786 | 0.76 | PKM (0.54) | HCRTR2PKMALDH1A1 | |
| SCHEMBL16612712 | 0.75 | HCRTR2 (0.38) | HCRTR2HCRTR1ALDH1A1 | |
| SCHEMBL16613011 | 0.75 | HCRTR2 (0.36) | HCRTR2HCRTR1 | |
| SCHEMBL16612857 | 0.74 | MTNR1A (0.44) | PKMALDH1A1 | |
| SCHEMBL16613039 | 0.74 | MEN1 (0.46) | HCRTR2HCRTR1ALDH1A1 | |
| SCHEMBL16612828 | 0.72 | SIRT2 (0.39) | HCRTR2 |
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-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | disclosed |