Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3310559 | 1.00 | ERN1 (0.38) | ERN1CES2CES1GAAKMT2A | |
| SCHEMBL3310562 | 1.00 | ERN1 (0.38) | ERN1CES2CES1GAAKMT2A | |
| SCHEMBL3309342 | 0.80 | GAA (0.34) | ERN1CES2CES1GAAKMT2A | |
| SCHEMBL3309345 | 0.80 | GAA (0.34) | ERN1CES2CES1GAAKMT2A | |
| SCHEMBL3307478 | 0.80 | CES2 (0.50) | CES2CES1KMT2AALDH1A1TDP1 | |
| SCHEMBL3307486 | 0.80 | CES2 (0.50) | CES2CES1KMT2AALDH1A1TDP1 | |
| SCHEMBL3307484 | 0.80 | CES2 (0.50) | CES2CES1KMT2AALDH1A1TDP1 | |
| SCHEMBL3305324 | 0.78 | CES2 (0.48) | ERN1CES2CES1HCAR1ALDH1A1 | |
| SCHEMBL3305322 | 0.78 | CES2 (0.48) | ERN1CES2CES1HCAR1ALDH1A1 | |
| SCHEMBL3305320 | 0.78 | CES2 (0.48) | ERN1CES2CES1HCAR1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8664255-B2 | Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2014-03-04 | — | — | US | claimed |
| US-20140171444-A1 | Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2014-06-19 | — | — | US | disclosed |
| US-8664255-B2 | Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2014-03-04 | — | — | US | disclosed |
| US-20100113477-A1 | Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof | TEXAS A&M UNIVERSITY SYSTEM, THE | 2010-05-06 | — | — | US | 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 (2 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-20100113477-A1 | Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof | ME3, ME1, MDH1 | ERN1 2699/4885CES2 1884/4885CES1 518/4885 |
| US-20140171444-A1 | Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof | ME3, ME1, MDH1 | ERN1 2699/4885CES2 1884/4885CES1 518/4885 |
“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.