Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12479162 | 0.84 | HCRTR2 (0.39) | HCRTR2TP53CYP1A2CYP3A4KMT2A | |
| SCHEMBL16612712 | 0.81 | HCRTR2 (0.38) | HCRTR2SMN1; SMN2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL16612742 | 0.78 | HCRTR2 (0.39) | HCRTR2CYP1A2CYP3A4POLB | |
| SCHEMBL16612866 | 0.77 | HCRTR2 (0.41) | HCRTR2 | |
| SCHEMBL16612825 | 0.77 | HCRTR2 (0.41) | HCRTR2 | |
| SCHEMBL16612865 | 0.75 | HCRTR2 (0.38) | HCRTR2POLB | |
| SCHEMBL16612711 | 0.74 | POLB (0.36) | HCRTR2CYP1A2ALDH1A1POLB | |
| SCHEMBL16612772 | 0.74 | KMT2A (0.46) | HCRTR2SMN1; SMN2ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL16612872 | 0.72 | HCRTR2 (0.41) | HCRTR2 | |
| SCHEMBL12478718 | 0.72 | HCRTR2 (0.41) | HCRTR2POLB |
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 | claimed |