Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
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 | 0.82 | ALDH1A1 (0.65) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5005746 | 0.82 | ALDH1A1 (0.72) | ALDH1A1GAACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5009875 | 0.81 | ALDH1A1 (0.63) | ALDH1A1GAACYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL13993263 | 0.81 | CACNA2D1 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL5005545 | 0.80 | CACNA2D1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5009835 | 0.79 | ALDH1A1 (0.60) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL12897966 | 0.76 | MAPT (0.57) | ALDH1A1GAACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5008132 | 0.73 | ALDH1A1 (0.57) | ALDH1A1GAAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL11648461 | 0.73 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3721960 | 0.72 | MAPT (0.64) | ALDH1A1GAACYP1A2CYP3A4CYP2D6 |
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 1591/4885CYP1A2 1552/4885 |
“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.