Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL4819083 | 0.94 | TAAR1 (0.41) | TAAR1RIPK1SSTR4CTSBCTSS | |
| SCHEMBL4714959 | 0.88 | KCNH2 (0.41) | CTSBCTSSHCRTR1HCRTR2 | |
| SCHEMBL4715133 | 0.87 | TAAR1 (0.38) | TAAR1RIPK1SSTR4CTSBCTSS | |
| SCHEMBL4714674 | 0.83 | TAAR1 (0.44) | TAAR1BACE1SIGMAR1 | |
| SCHEMBL4711021 | 0.81 | TAAR1 (0.38) | TAAR1RIPK1CTSBCTSSCTSK | |
| SCHEMBL5521342 | 0.81 | TAAR1 (0.38) | TAAR1RIPK1CTSBCTSSCTSK | |
| SCHEMBL21810778 | 0.78 | TAAR1 (0.53) | TAAR1RIPK1CTSBCTSSCTSK | |
| SCHEMBL3012881 | 0.77 | TAAR1 (0.55) | TAAR1RIPK1CTSBCTSSCTSK | |
| SCHEMBL3241377 | 0.76 | HDAC1 (0.43) | TAAR1RIPK1SSTR4CTSBCTSS | |
| SCHEMBL3750437 | 0.76 | TAAR1 (0.50) | TAAR1RIPK1CTSBCTSSCTSK |
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 |