Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cyclohexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL7317759 | 0.97 | FFAR3 (0.50) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL59229 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL5555814 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL8187512 | 0.89 | FFAR3 (0.58) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL1615802 | 0.86 | FFAR3 (0.54) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL1591363 | 0.86 | FFAR3 (0.54) | FFAR3LCKFYNLMNAALDH1A1 | |
| Cyclohexane SCHEMBL9811669 | 0.86 | LMNA (0.46) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL8716653 | 0.86 | FFAR3 (0.54) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL4097452 | 0.86 | FFAR3 (0.54) | FFAR3LCKFYNLMNAALDH1A1 | |
| Acetic Acid SCHEMBL694363 | 0.86 | — | — |
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-4315004-A | ANTIARTHRITIC AGENTS | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1982-02-09 | — | — | US | disclosed |
| US-4100276-A | BACTERICIDES, MICROBIOCIDES | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1978-07-11 | — | — | US | disclosed |