Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.82 |
| ▸ | KEAP1 | Q14145 | 5/20 | 0.69 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | SQSTM1 | Q13501 | 2/20 | 0.63 |
| ▸ | BRD4 | O60885 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | EP300 | Q09472 | 1/20 | 0.58 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.58 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7570382 | 0.81 | TSHR (0.75) | HKDC1ALDH1A1CES1ERBB2HSP90AA1 | |
| SCHEMBL22252403 | 0.81 | KEAP1 (0.69) | HKDC1KEAP1NFE2L2SQSTM1EP300 | |
| SCHEMBL13510382 | 0.81 | EP300 (0.80) | HKDC1KEAP1NFE2L2ALDH1A1EP300 | |
| SCHEMBL3622053 | 0.80 | HKDC1 (0.56) | HKDC1KEAP1NFE2L2BRD4KMT2A | |
| Hydrochloric Acid SCHEMBL1377991 | 0.79 | HKDC1 (0.55) | HKDC1KEAP1NFE2L2BRD4KMT2A | |
| SCHEMBL5309797 | 0.79 | EP300 (0.68) | HKDC1KEAP1NFE2L2EP300ERBB2 | |
| SCHEMBL10143537 | 0.79 | ALDH1A1 (0.71) | HKDC1ALDH1A1CES1CYP19A1 | |
| SCHEMBL30737499 | 0.79 | ALDH1A1 (0.66) | HKDC1ALDH1A1CES1CYP19A1KMT2A | |
| SCHEMBL4184006 | 0.79 | ALDH1A1 (0.66) | HKDC1ALDH1A1CES1CYP19A1KMT2A | |
| SCHEMBL3260803 | 0.79 | GAA (0.71) | HKDC1ALDH1A1CES1ERBB2HSP90AA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2008-06-19 | — | — | US | claimed |
| US-20050054691-A1 | Carboxylesterase inhibitors | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2005-03-10 | — | — | US | claimed |
| US-7973034-B2 | Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2011-07-05 | — | — | US | disclosed |
| US-7973034-B2 | Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2011-07-05 | — | — | US | disclosed |
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2008-06-19 | — | — | US | disclosed |
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2008-06-19 | — | — | 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-20050054691-A1 | Carboxylesterase inhibitors | CES1, CES2, BCHE | HKDC1 756/4885KEAP1 514/4885NFE2L2 2502/4885 |
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | CES1, BCHE, CES2 | HKDC1 730/4885KEAP1 948/4885NFE2L2 2975/4885 |
“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.