Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4426300 | 0.76 | CYP2A6 (0.46) | CYP2A6 | |
| SCHEMBL8655332 | 0.73 | ERN1 (0.46) | CYP2A6CYP3A4MAPTHTR2B | |
| SCHEMBL28481670 | 0.72 | TRPA1 (0.41) | CYP2A6CYP3A4MAPK1ALOX15PKM | |
| SCHEMBL10859384 | 0.69 | CYP2A6 (0.35) | CYP2A6KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL12278096 | 0.69 | CYP2A6 (0.45) | CYP2A6 | |
| SCHEMBL3483635 | 0.68 | CYP2A6 (0.36) | CYP2A6 | |
| SCHEMBL2092548 | 0.68 | CYP2A6 (0.41) | CYP2A6MAPK1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL4429297 | 0.67 | MAPT (0.34) | CYP2A6ALOX15ALDH1A1MAPTHPGD | |
| SCHEMBL13764546 | 0.65 | KDR (0.40) | CYP2A6HTTPKMMAPTLMNA | |
| SCHEMBL9849381 | 0.65 | CYP3A4 (0.55) | ESR1ESR2CYP3A4MAPK1ALOX15 |
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 944/4885ESR1 3860/4885ESR2 4073/4885 |
“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.