Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5009875 | 0.92 | ALDH1A1 (0.63) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5008132 | 0.90 | ALDH1A1 (0.57) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5000999 | 0.88 | NPC1 (0.60) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5005313 | 0.85 | ALDH1A1 (0.65) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5005526 | 0.84 | NOTUM (0.50) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5004604 | 0.79 | MAPK1 (0.56) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5008073 | 0.79 | ALDH1A1 (0.56) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5001448 | 0.77 | CACNA2D1 (0.61) | — | |
| SCHEMBL5004606 | 0.75 | ALDH1A1 (0.55) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL21354520 | 0.74 | GAA (0.56) | ALDH1A1GAAMAPTMAPK1NPC1 |
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 4 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 |
| EP-1539168-A2 | TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS | Merck & Co., Inc. (US) | 2005-06-15 | — | — | EP | 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 |
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 | ALDH1A1 1590/4885GAA 1591/4885MAPT 455/4885 |
“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.