Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30816293 | 1.00 | NOS3 (0.50) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL77479 | 0.82 | NOS3 (0.48) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL15192976 | 0.79 | SSTR4 (0.39) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL5038676 | 0.78 | ALDH1A1 (0.44) | KDM4EL3MBTL1HTTSLC6A2CYP3A4 | |
| SCHEMBL1332434 | 0.78 | NOS3 (0.45) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL16252854 | 0.78 | NOS3 (0.50) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL16019426 | 0.78 | NOS3 (0.45) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL129161 | 0.78 | NOS3 (0.41) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL23126660 | 0.77 | ACSS2 (0.36) | KDM4EL3MBTL1MAPTHTTCYP3A4 | |
| SCHEMBL16836001 | 0.77 | SMN1; SMN2 (0.35) | SSTR4KDM4EL3MBTL1MAPTHTT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023141511-A1 | POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2023-07-27 | — | — | WO | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |
| US-5256785-A | Smoking compositions containing an oxalate flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1993-10-26 | — | — | US | disclosed |
| US-5172706-A | Smoking compositions containing an oxalate flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1992-12-22 | — | — | 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-20090036453-A1 | Pyrrolopyridazinone Compound | CBR3, CBR1, CYC1 | NOS3 515/4885NOS1 1066/4885NOS2 972/4885 |
“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.