Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 1.00 |
| ▸ | CA12 | O43570 | 5/20 | 0.70 |
| ▸ | CA1 | P00915 | 5/20 | 0.70 |
| ▸ | CA2 | P00918 | 5/20 | 0.70 |
| ▸ | CA7 | P43166 | 5/20 | 0.70 |
| ▸ | CA9 | Q16790 | 5/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.59 |
| ▸ | GFER | P55789 | 1/20 | 0.59 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.59 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL14641561 | 0.88 | CES2 (0.78) | CES2CA12CA1CA2CA7 | |
| SCHEMBL14676003 | 0.86 | CES2 (0.75) | CES2CA12CA1CA2CA7 | |
| SCHEMBL5962551 | 0.85 | CES2 (0.73) | CES2CA12CA1CA2CA7 | |
| SCHEMBL9263777 | 0.84 | CES2 (0.72) | CES2CA12CA1CA2CA7 | |
| SCHEMBL29357695 | 0.84 | CES2 (0.73) | CES2CA12CA1CA2CA7 | |
| SCHEMBL39507 | 0.84 | CES2 (0.73) | CES2CA12CA1CA2CA7 | |
| SCHEMBL14416852 | 0.83 | CES2 (0.69) | CES2CA12CA1CA2CA7 | |
| SCHEMBL8906715 | 0.82 | CES2 (0.70) | CES2CA12CA1CA2CA7 | |
| SCHEMBL5674868 | 0.82 | CES2 (0.70) | CES2CA12CA1CA2CA7 | |
| 2,4-Dihydroxybenzoic Acid SCHEMBL29573604 | 0.82 | CA12 (1.00) | CES2CA12CA1CA2CA7 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| US-7996156-B2 | Methods for predicting properties of molecules | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-08-09 | — | — | 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-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 |
| 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-7241551-B2 | Positive-working resist composition | FUJIFILM CORPORATION (JP) | 2007-07-10 | — | — | US | disclosed |
| US-7241551-B2 | Positive-working resist composition | FUJIFILM CORPORATION (JP) | 2007-07-10 | — | — | US | disclosed |
| US-20050054691-A1 | Carboxylesterase inhibitors | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2005-03-10 | — | — | 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 | CES2 2/4885CA12 3171/4885CA1 1806/4885 |
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | CES1, BCHE, CES2 | CES2 3/4885CA12 3377/4885CA1 2189/4885 |
“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.