Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 13/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5009873 | 0.99 | CACNA2D1 (0.57) | CACNA2D1SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL8360426 | 0.95 | CACNA2D1 (0.54) | CACNA2D1SMN1; SMN2ALDH1A1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL5004656 | 0.94 | CACNA2D1 (0.53) | CACNA2D1SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL8358370 | 0.91 | CACNA2D1 (0.70) | CACNA2D1ALDH1A1LMNA | |
| SCHEMBL5009714 | 0.91 | CACNA2D1 (0.54) | CACNA2D1SMN1; SMN2ALDH1A1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL5009845 | 0.90 | CACNA2D1 (0.69) | CACNA2D1ALDH1A1LMNA | |
| SCHEMBL8359822 | 0.85 | CACNA2D1 (0.67) | CACNA2D1 | |
| Hydrochloric Acid SCHEMBL5004563 | 0.84 | CACNA2D1 (0.65) | CACNA2D1 | |
| SCHEMBL8359789 | 0.80 | CACNA2D1 (0.71) | CACNA2D1ALDH1A1LMNA | |
| SCHEMBL5005324 | 0.79 | CACNA2D1 (0.55) | CACNA2D1SMN1; SMN2ALDH1A1LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7465730-B2 | Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds | MERCK & CO. INC. (US) | 2008-12-16 | — | — | US | disclosed |
| US-7465730-B2 | Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds | MERCK & CO. INC. (US) | 2008-12-16 | — | — | US | disclosed |
| WO-2004006836-A2 | TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS | MERCK & CO., INC. (US) | 2004-01-22 | — | — | WO | disclosed |