Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenacyl Chloride. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.86 |
| ▸ | GSK3B | P49841 | 3/20 | 0.86 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.86 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.86 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.86 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Phenacyl Chloride SCHEMBL2314766 | 0.93 | ALDH1A1 (1.00) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL55444 | 0.93 | ALDH1A1 (1.00) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL4722048 | 0.91 | ALDH1A1 (0.79) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL28256528 | 0.91 | ALDH1A1 (0.95) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL28034037 | 0.91 | ALDH1A1 (0.95) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL27611889 | 0.91 | ALDH1A1 (0.95) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL5139857 | 0.91 | ALDH1A1 (0.95) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL14715802 | 0.91 | ALDH1A1 (0.95) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL7068908 | 0.89 | GSK3B (0.83) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 | |
| Phenacyl Chloride SCHEMBL9451036 | 0.89 | ALDH1A1 (0.83) | ALDH1A1GSK3BHIF1AMAPK1TRPA1 |
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-8735178-B2 | Withanolides, probes and binding targets and methods of use thereof | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-05-27 | — | — | US | claimed |
| US-20080207574-A1 | WITHANOLIDES, PROBES AND BINDING TARGETS AND METHODS OF USE THEREOF | KENTUCKY RESEARCH FOUNDATION | 2008-08-28 | — | — | US | claimed |
| WO-2008101109-A1 | WITHANOLIDES, PROBES AND BINDING TARGETS AND METHODS OF USE THEREOF | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2008-08-21 | — | — | WO | claimed |
| US-8735178-B2 | Withanolides, probes and binding targets and methods of use thereof | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-05-27 | — | — | US | disclosed |
| US-20080207574-A1 | WITHANOLIDES, PROBES AND BINDING TARGETS AND METHODS OF USE THEREOF | KENTUCKY RESEARCH FOUNDATION | 2008-08-28 | — | — | US | disclosed |
| WO-2008101109-A1 | WITHANOLIDES, PROBES AND BINDING TARGETS AND METHODS OF USE THEREOF | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2008-08-21 | — | — | 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-20080207574-A1 | WITHANOLIDES, PROBES AND BINDING TARGETS AND METHODS OF USE THEREOF | VIM, HASPIN, FABP3 | ALDH1A1 2226/4885GSK3B 1089/4885HIF1A 2124/4885 |
“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.