Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 7/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | ADCY1 | Q08828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9248815 | 0.98 | NOTUM (0.51) | NOTUMEPHX2KCNH2CYP2C19ALDH1A1 | |
| SCHEMBL9164091 | 0.98 | NOTUM (0.51) | NOTUMEPHX2KCNH2CYP2C19ALDH1A1 | |
| SCHEMBL8062544 | 0.98 | NOTUM (0.51) | NOTUMEPHX2KCNH2CYP2C19ALDH1A1 | |
| SCHEMBL22730674 | 0.95 | — | — | |
| SCHEMBL5949426 | 0.81 | NOTUM (0.37) | NOTUMEPHX2KCNH2 | |
| SCHEMBL15024230 | 0.81 | NOTUM (0.39) | NOTUMEPHX2KCNH2 | |
| SCHEMBL12525097 | 0.81 | NOTUM (0.37) | NOTUMEPHX2KCNH2 | |
| SCHEMBL12525098 | 0.81 | NOTUM (0.37) | NOTUMEPHX2KCNH2 | |
| Hydrochloric Acid SCHEMBL21080304 | 0.79 | KCNH2 (0.36) | NOTUMEPHX2KCNH2 | |
| Hydrochloric Acid SCHEMBL21080307 | 0.79 | KCNH2 (0.36) | NOTUMEPHX2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008105607-A1 | HETEROARYL-IMIDAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS | GREEN CROSS CORPORATION (KR) | 2008-09-04 | — | — | WO | claimed |
| US-6677316-B2 | TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL | SMITHKLINE BEECHAM CORPORATION | 2004-01-13 | — | — | US | disclosed |
| US-6492348-B1 | Adenosine derivatives | SMITHKLINE BEECHAM CORPORATION | 2002-12-10 | — | — | US | disclosed |