Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Apocynin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.70 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Apocynin SCHEMBL109372 | 1.00 | HTT (0.73) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL28429584 | 1.00 | HTT (0.73) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL109514 | 0.96 | MEN1 (0.75) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL464770 | 0.96 | MEN1 (0.75) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL29364797 | 0.96 | MEN1 (0.75) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL28537029 | 0.95 | HTT (0.71) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL6650865 | 0.94 | MEN1 (0.72) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL30937977 | 0.94 | MEN1 (0.72) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL28029251 | 0.94 | MEN1 (0.72) | HTTMEN1KMT2ASLC22A6SLC22A8 | |
| Apocynin SCHEMBL4232138 | 0.90 | HTT (0.65) | HTTMEN1KMT2ASLC22A6SLC22A8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424872-B1 | NEUROPROTECTIVE COMPOUNDS AND THEIR USE | MEDICAL COLLEGE OF WISCONSIN INC (US) | 2017-05-17 | — | — | EP | disclosed |
| US-8962600-B2 | Neuroprotective compounds and their use | THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) | 2015-02-24 | — | — | US | disclosed |
| US-20120108549-A1 | NEUROPROTECTIVE COMPOUNDS AND THEIR USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-05-03 | — | — | US | disclosed |
| EP-2424872-A1 | NEUROPROTECTIVE COMPOUNDS AND THEIR USE | The MCW Research Foundation, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126719-A1 | NEUROPROTECTIVE COMPOUNDS AND THEIR USE | MCW RESEARCH FOUNDATION, INC. (US) | 2010-11-04 | — | — | 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-20120108549-A1 | NEUROPROTECTIVE COMPOUNDS AND THEIR USE | NLN, ATP6V1B2, BDNF | HTT 8/4885MEN1 4138/4885KMT2A 4740/4885 |
“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.