Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3483268 | 0.79 | MCL1 (0.34) | CYP2A6 | |
| SCHEMBL3483738 | 0.79 | TAAR1 (0.38) | CYP2A6ALDH1A1NQO2CYP19A1CYP3A4 | |
| SCHEMBL7470456 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP3A4 | |
| SCHEMBL3483971 | 0.74 | CYP3A4 (0.40) | CYP2A6ALDH1A1CYP3A4MAOA | |
| SCHEMBL4266243 | 0.71 | CYP2A6 (0.44) | CYP2A6ALDH1A1IDO1 | |
| SCHEMBL10731147 | 0.71 | CYP2A6 (0.37) | CYP2A6 | |
| SCHEMBL2089129 | 0.69 | CYP2A6 (0.41) | CYP2A6CYP3A4 | |
| SCHEMBL7481017 | 0.67 | CYP2A6 (0.52) | CYP2A6 | |
| SCHEMBL2560197 | 0.67 | ALDH1A1 (0.53) | CYP2A6ALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL22186154 | 0.67 | ACHE (0.43) | CYP2A6ALDH1A1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049200-B1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC (CA) | 2015-04-29 | — | — | EP | disclosed |
| US-8440643-B2 | Inhibitors of beta-lactamase | METHYLGENE INC. (CA) | 2013-05-14 | — | — | US | disclosed |
| US-20100279983-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC. | 2010-11-04 | — | — | US | disclosed |
| EP-2049200-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MethylGene Inc. (CA) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008073142-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-06-19 | — | — | 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-20100279983-A1 | NOVEL INHIBITORS OF BETA-LACTAMASE | MGAM, MGAM2, PGLS | CYP2A6 944/4885ALDH1A1 2190/4885NQO2 192/4885 |
“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.