Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 19/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5001448 | 0.93 | CACNA2D1 (0.61) | CACNA2D1 | |
| SCHEMBL5005070 | 0.86 | CACNA2D1 (0.54) | CACNA2D1 | |
| SCHEMBL5008038 | 0.85 | CACNA2D1 (0.68) | CACNA2D1 | |
| SCHEMBL8358370 | 0.84 | CACNA2D1 (0.70) | CACNA2D1ALDH1A1 | |
| SCHEMBL8359822 | 0.83 | CACNA2D1 (0.67) | CACNA2D1 | |
| Hydrochloric Acid SCHEMBL5009845 | 0.83 | CACNA2D1 (0.69) | CACNA2D1ALDH1A1 | |
| SCHEMBL5005203 | 0.83 | CACNA2D1 (0.64) | CACNA2D1 | |
| Hydrochloric Acid SCHEMBL5004563 | 0.82 | CACNA2D1 (0.65) | CACNA2D1 | |
| SCHEMBL8359791 | 0.82 | CACNA2D1 (0.67) | CACNA2D1 | |
| Hydrochloric Acid SCHEMBL5005440 | 0.81 | CACNA2D1 (0.66) | 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 2 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-20060154929-A1 | Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds | MERCK SHARP & DOHME CORP. | 2006-07-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060154929-A1 | Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds | GRIN2C, CACNA1C, CACNG4 | CACNA2D1 6/4885KDM4E 1778/4885ALDH1A1 1590/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.