Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 2/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2124861 | 0.75 | CNR2 (0.41) | CNR2TRPV1KDM4ENPC1RAB9A | |
| SCHEMBL1250852 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2124917 | 0.73 | CNR2 (0.40) | CNR2TRPV1KDM4ENPC1RAB9A | |
| SCHEMBL31252534 | 0.73 | CYP2A6 (0.61) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL29924154 | 0.73 | CYP2A6 (0.61) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL196235 | 0.73 | CYP2A6 (0.61) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL694811 | 0.68 | KDM4E (0.50) | CYP2A6METAP2KDM4ENPC1RAB9A | |
| SCHEMBL2576181 | 0.68 | NPC1 (0.38) | KDM4ENPC1RAB9AMAPT | |
| SCHEMBL17109495 | 0.68 | CYP2A6 (0.43) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL21241343 | 0.68 | CYP2A6 (0.55) | CYP2A6METAP2NOS3NOS1NOS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2285789-A1 | NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES | Merck Sharp & Dohme Corp. (US) | 2011-02-23 | — | — | EP | claimed |
| WO-2009146343-A1 | NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES | MERCK & CO., INC. (US) | 2009-12-03 | — | — | WO | claimed |