Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 5/20 | 0.35 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.34 |
| ▸ | EPHA4 | P54764 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2017666 | 0.77 | ACHE (0.36) | ALDH1A1ACHEBCHEGRIN1GRIN2A | |
| SCHEMBL6932370 | 0.66 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL21553936 | 0.61 | PTGS2 (0.44) | ALDH1A1HRH2HRH3HPGD | |
| SCHEMBL2722633 | 0.60 | POLB (0.40) | ALDH1A1CYP1A2ACHEBCHEGRIN1 | |
| SCHEMBL2724439 | 0.60 | POLB (0.40) | ALDH1A1CYP1A2ACHEBCHEGRIN1 | |
| SCHEMBL28788648 | 0.60 | MAPT (0.39) | ALDH1A1ACHEBCHEGRIN1GRIN2A | |
| SCHEMBL27817301 | 0.60 | KDM4E (0.40) | ALDH1A1CYP1A2CYP2C19ACHEBCHE | |
| SCHEMBL548076 | 0.58 | CA1 (0.52) | ALDH1A1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL2019728 | 0.57 | MAOB (0.50) | KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4021982 | 0.57 | ACHE (0.57) | ALDH1A1CYP1A2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-8338591-B2 | 3-aryl-5,6-disubstituted pyridazines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2012-12-25 | — | — | US | disclosed |
| US-8338591-B2 | 3-aryl-5,6-disubstituted pyridazines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2012-12-25 | — | — | US | disclosed |
| US-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | NEUROGEN CORPORATION (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | NEUROGEN CORPORATION (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | NEUROGEN CORPORATION (US) | 2011-06-30 | — | — | US | disclosed |
| EP-1745039-A4 | 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES | NEUROGEN CORP (US) | 2009-07-22 | — | — | EP | disclosed |
| EP-1745039-A2 | 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES | Neurogen Corporation (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2006004589-A2 | 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES | NEUROGEN CORPORATION (US) | 2006-01-12 | — | — | 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-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | MMP25, MMP9, MMP3 | ALDH1A1 403/4885CYP1A2 157/4885CYP2C19 117/4885 |
“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.