Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cyclohexanone Oxime. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | CASP1 | P29466 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Cyclohexanone Oxime SCHEMBL9425289 | 0.90 | TSHR (0.78) | TSHRCASP1KDM4ERAB9ACHRNA7 | |
| Cyclohexanone Oxime SCHEMBL9010397 | 0.87 | TSHR (0.58) | TSHRCASP1KDM4ERAB9ACHRNA7 | |
| Cyclohexanone Oxime SCHEMBL28084559 | 0.87 | TSHR (0.93) | TSHRCASP1KDM4ERAB9ACHRNA7 | |
| Cyclohexanone Oxime SCHEMBL8558306 | 0.85 | TSHR (0.70) | TSHRCASP1KDM4ERAB9ACHRNA7 | |
| Cyclohexanone Oxime SCHEMBL3260818 | 0.84 | TSHR (0.88) | TSHRCASP1KDM4ERAB9ACHRNA7 | |
| Cyclohexanone Oxime SCHEMBL1720578 | 0.84 | TSHR (0.88) | TSHRCASP1KDM4ERAB9ACHRNA7 | |
| Cyclohexanone Oxime SCHEMBL11884936 | 0.84 | TSHR (1.00) | TSHRCASP1KDM4ERAB9ACHRNA7 | |
| SCHEMBL3472281 | 0.84 | TSHR (1.00) | TSHRCASP1KDM4ERAB9ACHRNA7 | |
| Cyclohexanone Oxime SCHEMBL37995 | 0.84 | — | — | |
| SCHEMBL1025656 | 0.84 | TSHR (1.00) | TSHRCASP1KDM4ERAB9ACHRNA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6111128-A | IN THE PRESENCE OF A METAL CATALYST, REACTING AN ENOL ESTER OF GIVEN FORMULA OR OXIME ESTER WITH A CARBONYL COMPOUND AND CYANOGENATION AGENT TO FORM AN ALPHA-CYANOHYDRIN ESTER WHICH IS HYDROLYZED TO FORM ALPHA-HYDROXY ACIDS; EFFICIENCY | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-08-29 | — | — | US | disclosed |
| EP-0926134-A2 | Processes for producing alpha-cyanohydrin esters and alpha-hydroxy acids | Daicel Chemical Industries, Ltd. (JP) | 1999-06-30 | — | — | EP | disclosed |