Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 0.63 |
| ▸ | RAB9A | P51151 | 13/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | MAPK13 | O15264 | 5/20 | 0.62 |
| ▸ | MAPK12 | P53778 | 5/20 | 0.62 |
| ▸ | MAPK11 | Q15759 | 5/20 | 0.62 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.55 |
| ▸ | RELA | Q04206 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.55 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5564231 | 0.84 | MAPK13 (0.63) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5564235 | 0.84 | NPC1 (0.60) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14417494 | 0.83 | NPC1 (0.71) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5568902 | 0.83 | NPC1 (0.59) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6876510 | 0.82 | MAPK14 (0.47) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27596211 | 0.82 | MAPK14 (0.64) | NPC1RAB9AMAPK13MAPK12MAPK11 | |
| SCHEMBL27615016 | 0.81 | MAPK14 (0.44) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27596159 | 0.80 | MAPK13 (0.44) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL5568758 | 0.78 | NPC1 (0.56) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6885144 | 0.75 | CCNA2 (0.42) | NPC1RAB9ACYP1A2CYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100363362-C | Thiazole derivatives as NPY receptor antagonists | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | CN | disclosed |
| CN-1639158-A | Thiazole derivatives as NPY receptor antagonists | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |
| US-6686381-B2 | COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA | HOFFMANN-LA ROCHE INC. | 2004-02-03 | — | — | US | disclosed |