Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5005313 | 0.85 | ALDH1A1 (0.65) | ALDH1A1GAANPC1NPSR1MAPT | |
| SCHEMBL5004861 | 0.77 | CACNA2D1 (0.50) | ALDH1A1GAANPSR1MAPTKMT2A | |
| SCHEMBL5009875 | 0.73 | ALDH1A1 (0.63) | ALDH1A1GAANPC1NPSR1MAPT | |
| SCHEMBL5000991 | 0.72 | HTT (0.49) | ALDH1A1GAANPC1NPSR1MAPT | |
| SCHEMBL5004589 | 0.71 | NOTUM (0.53) | ALDH1A1GAANPSR1MAPTSMN1; SMN2 | |
| SCHEMBL5009835 | 0.71 | ALDH1A1 (0.60) | ALDH1A1GAANPC1NPSR1MAPT | |
| SCHEMBL16909329 | 0.70 | THRA (0.48) | ALDH1A1TSPOTHRB | |
| SCHEMBL5008132 | 0.68 | ALDH1A1 (0.57) | ALDH1A1GAANPC1NPSR1MAPT | |
| SCHEMBL5009780 | 0.68 | ALDH1A1 (0.78) | ALDH1A1GAANPC1NPSR1MAPT | |
| SCHEMBL5008174 | 0.68 | NPC1 (0.60) | ALDH1A1GAANPC1NPSR1MAPT |
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 | ALDH1A1 1590/4885GAA 1591/4885NPC1 2608/4885 |
“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.