Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 15/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 SCHEMBL5005545 | 0.99 | CACNA2D1 (0.53) | CACNA2D1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5005746 | 0.82 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5005343 | 0.81 | CACNA2D1 (0.61) | CACNA2D1 | |
| SCHEMBL5008073 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5001445 | 0.80 | CACNA2D1 (0.64) | CACNA2D1 | |
| SCHEMBL5008038 | 0.79 | CACNA2D1 (0.68) | CACNA2D1 | |
| SCHEMBL5004584 | 0.78 | CACNA2D1 (0.61) | CACNA2D1 | |
| SCHEMBL5009957 | 0.78 | CACNA2D1 (0.57) | CACNA2D1 | |
| SCHEMBL5001448 | 0.77 | CACNA2D1 (0.61) | CACNA2D1 | |
| SCHEMBL5008012 | 0.76 | CACNA2D1 (0.58) | CACNA2D1 |
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 1 patent. 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 |