Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 6/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | PDE5A | O76074 | 5/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.42 |
| ▸ | PDE1A | P54750 | 4/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.42 |
| ▸ | PDE1C | Q14123 | 4/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1225856 | 0.82 | ACHE (0.46) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL12622553 | 0.80 | ALDH1A1 (0.45) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL2621002 | 0.80 | ERN1 (0.50) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL10064029 | 0.80 | ACHE (0.61) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL14666158 | 0.80 | MAPT (0.50) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL18362599 | 0.80 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL12954538 | 0.78 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL15725791 | 0.78 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL15679419 | 0.78 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DACHE | |
| SCHEMBL9447252 | 0.78 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DACHE |
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-20170001958-A1 | INHIBITORS OF MITOCHONDRIAL PYRUVATE DEHYDROGENASE KINASE ISOFORMS 1-4 AND USES THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-01-05 | — | — | US | disclosed |
| US-9493439-B1 | Proteasome inhibitors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-11-15 | — | — | US | disclosed |
| US-8883809-B2 | Isoxazole/isoxazoline/combretastatin linked dihydroquinazolinone hybrids as potential anticancer agents and process for the preparation thereof | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2014-11-11 | — | — | US | disclosed |
| US-20120283439-A1 | ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF | Council of Scientific & Industrial Redearch (IN) | 2012-11-08 | — | — | US | disclosed |
| US-7381842-B2 | Oxime ester photoinitiators | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2008-06-03 | — | — | US | disclosed |
| WO-1993009113-A1 | 2-((IMIDAZOL-2-YL)METHYL)-ISOINDOLE DERIVATIVES AS ALPHA-2-ADRENOCEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-05-13 | — | — | 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 (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-20170001958-A1 | INHIBITORS OF MITOCHONDRIAL PYRUVATE DEHYDROGENASE KINASE ISOFORMS 1-4 AND USES THEREOF | PDK4, PDK2, PDK3 | PDE4A 857/4885PDE4B 867/4885PDE4C 1040/4885 |
| US-20120283439-A1 | ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF | NDUFAF1, TOP1, COX4I1 | PDE4A 1600/4885PDE4B 1335/4885PDE4C 1811/4885 |
“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.