Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.48 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.48 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14328265 | 0.84 | TSHR (0.53) | TSHRCYP1A2MAPTKMT2ACYP2C9 | |
| SCHEMBL11630902 | 0.77 | ALDH1A1 (0.60) | TSHRCYP1A2MAPTKMT2ACYP2C9 | |
| SCHEMBL14621014 | 0.75 | TSHR (0.57) | TSHRCYP1A2MAPTKMT2ACYP2C9 | |
| SCHEMBL11006532 | 0.75 | TSHR (0.57) | TSHRCYP1A2MAPTKMT2ACYP2C9 | |
| SCHEMBL2768852 | 0.74 | TSHR (0.53) | TSHRCYP1A2MAPTKMT2ACYP2C9 | |
| SCHEMBL7276418 | 0.74 | TSHR (0.56) | TSHRCYP1A2MAPTKMT2ACYP2C9 | |
| SCHEMBL3075856 | 0.74 | TSHR (0.42) | TSHRMAPTKMT2AMEN1MAPK10 | |
| Diethyl Phthalate SCHEMBL22296 | 0.72 | TSHR (1.00) | TSHRCYP1A2MAPTKMT2ACYP2C9 | |
| Diethyl Phthalate SCHEMBL29404255 | 0.72 | TSHR (1.00) | TSHRCYP1A2MAPTKMT2ACYP2C9 | |
| Diethyl Phthalate SCHEMBL5306972 | 0.72 | TSHR (1.00) | TSHRCYP1A2MAPTKMT2ACYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120329842-A1 | SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-12-27 | — | — | US | disclosed |
| US-20120329842-A1 | SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-12-27 | — | — | US | disclosed |
| WO-2012088283-A1 | SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES | BAYLOR COLLEGE OF MEDICINE (US) | 2012-06-28 | — | — | 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-20120329842-A1 | SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES | MGAM, MGAM2, BPGM | TSHR 4586/4885CYP1A2 1395/4885MAPT 2904/4885 |
“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.