Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL24618395 | 0.89 | HRH1 (0.36) | HRH1KCNH2NOS1NOS2IRAK4 | |
| SCHEMBL4714938 | 0.87 | KCNH2 (0.41) | KCNH2NOS1NOS2BACE1TAAR1 | |
| SCHEMBL929267 | 0.87 | KCNH2 (0.38) | KCNH2NOS1NOS2IRAK4BACE1 | |
| SCHEMBL5466523 | 0.85 | KCNH2 (0.39) | KCNH2NOS1NOS2IRAK4BACE1 | |
| SCHEMBL4714046 | 0.84 | KCNH2 (0.36) | KCNH2NOS1NOS2IRAK4BACE1 | |
| SCHEMBL20436590 | 0.81 | KCNH2 (0.39) | KCNH2IRAK4BACE1NPSR1 | |
| SCHEMBL20416847 | 0.81 | KCNH2 (0.39) | KCNH2IRAK4BACE1NPSR1ADORA2A | |
| SCHEMBL4715736 | 0.80 | KCNH2 (0.38) | KCNH2IRAK4BACE1NPSR1ADORA2A | |
| SCHEMBL3534071 | 0.80 | NOS2 (0.38) | KCNH2NOS1NOS2IRAK4BACE1 | |
| SCHEMBL379113 | 0.80 | KCNH2 (0.38) | KCNH2IRAK4BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1677799-A4 | TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | MERCK & CO INC (US) | 2008-09-10 | — | — | EP | disclosed |
| EP-1677799-A1 | TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | Merck & Co., Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005041971-A1 | TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | MERCK & CO., INC. (US) | 2005-05-12 | — | — | WO | disclosed |