Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.40 |
| ▸ | NOS1 | P29475 | 5/20 | 0.40 |
| ▸ | NOS2 | P35228 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4712759 | 0.87 | HRH1 (0.37) | KCNH2TAAR1NOS1NOS2BACE1 | |
| SCHEMBL929267 | 0.78 | KCNH2 (0.38) | KCNH2NOS1NOS2BACE1 | |
| SCHEMBL24618395 | 0.77 | HRH1 (0.36) | KCNH2NOS1NOS2 | |
| SCHEMBL4713936 | 0.77 | NQO2 (0.46) | — | |
| SCHEMBL5466523 | 0.77 | KCNH2 (0.39) | KCNH2NOS1NOS2BACE1 | |
| SCHEMBL4714046 | 0.76 | KCNH2 (0.36) | KCNH2NOS1NOS2BACE1 | |
| SCHEMBL4715502 | 0.75 | TAAR1 (0.43) | TAAR1BACE1DHFR | |
| SCHEMBL4713336 | 0.74 | TAAR1 (0.45) | TAAR1BACE1 | |
| SCHEMBL4380251 | 0.74 | ENPP2 (0.43) | NOS1NOS2NOS3 | |
| SCHEMBL4714491 | 0.74 | SMN1; SMN2 (0.46) | KCNH2 |
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 |