Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butylcyclohexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 2/20 | 0.42 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.42 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Butylcyclohexane SCHEMBL28895865 | 0.94 | CYP1A2 (0.78) | CYP1A2MAPTBCHEKDM5APHF8 | |
| Butylcyclohexane SCHEMBL9648489 | 0.90 | CYP1A2 (0.72) | CYP1A2MAPTBCHEKDM5APHF8 | |
| Acetic Acid SCHEMBL10708095 | 0.89 | MAPT (0.58) | CYP1A2MAPTKDM5APHF8KDM2A | |
| Butylcyclohexane SCHEMBL1838223 | 0.88 | CYP1A2 (0.75) | CYP1A2MAPTBCHEPOLBHPGD | |
| Butylcyclohexane SCHEMBL9556117 | 0.88 | CYP1A2 (0.75) | CYP1A2MAPTBCHEPOLBHPGD | |
| Bicarbonate SCHEMBL5183166 | 0.88 | CYP1A2 (0.68) | CYP1A2MAPTKDM5APHF8KDM2A | |
| Butylcyclohexane SCHEMBL28179571 | 0.87 | CYP1A2 (0.90) | CYP1A2MAPTBCHEPOLBHPGD | |
| SCHEMBL25389971 | 0.87 | CYP1A2 (1.00) | CYP1A2MAPTSIGMAR1LMNAMAPK1 | |
| SCHEMBL7741430 | 0.87 | CYP1A2 (1.00) | CYP1A2MAPTSIGMAR1LMNAMAPK1 | |
| Butylcyclohexane SCHEMBL72010 | 0.87 | CYP1A2 (1.00) | CYP1A2MAPTSIGMAR1LMNAMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130053469-A1 | INK-JET PRINTER INK | DURST PHOTOTECHNIK DIGITAL TECHNOLOGY GMBH (AT) | 2013-02-28 | — | — | US | disclosed |