Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | METAP2 | P50579 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5779602 | 0.93 | CYP2A6 (0.48) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL6816681 | 0.85 | UGT2B7 (0.46) | UGT2B7TRPV4KIF11CYP1A2CYP2C19 | |
| SCHEMBL2627116 | 0.82 | CYP2A6 (0.56) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL27558953 | 0.80 | CYP2A6 (0.48) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL24779222 | 0.78 | UGT2B7 (0.64) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL30628955 | 0.78 | UGT2B7 (0.64) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL13077231 | 0.78 | KDM4E (0.48) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL6816249 | 0.78 | UGT2B7 (0.44) | CYP2A6MEN1KMT2AUGT2B7TRPV4 | |
| SCHEMBL29353067 | 0.77 | CYP2A6 (0.77) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL192166 | 0.77 | CYP2A6 (0.77) | CYP2A6KDM4EMEN1ALDH1A1MAPT |
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-2017192304-A1 | ARYLCARBOXAMIDES AND USES THEREOF | INCEPTION 1, INC. (US) | 2017-11-09 | — | — | WO | disclosed |
| CN-1312151-C | (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker | HOFFMANN LA ROCHE (CH) | 2007-04-25 | — | — | CN | disclosed |
| EP-1506190-B1 | (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER | HOFFMANN LA ROCHE (CH) | 2006-06-14 | — | — | EP | disclosed |
| US-7005432-B2 | Substituted imidazol-pyridazine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2006-02-28 | — | — | US | disclosed |
| CN-1653062-A | (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker | HOFFMANN LA ROCHE (CH) | 2005-08-10 | — | — | CN | disclosed |
| EP-1506190-A1 | (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-16 | — | — | EP | disclosed |
| US-20030229096-A1 | Substituted imidazol-pyridazine derivatives | EVOTEC INTERNATIONAL GMBH (DE) | 2003-12-11 | — | — | US | disclosed |
| WO-2003097637-A1 | (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-27 | — | — | 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-20030229096-A1 | Substituted imidazol-pyridazine derivatives | GRIN2B, GRIN2A, GRIN2C | CYP2A6 3453/4885KDM4E 2754/4885MEN1 4402/4885 |
“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.