Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Guaiazulen. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.77 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 4/20 | 0.43 |
| ▸ | ACHE | P22303 | 4/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.42 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Guaiazulen SCHEMBL28572432 | 0.91 | LMNA (0.74) | LMNATRPA1PTGS1CACNA1CBCHE | |
| Guaiazulen SCHEMBL29639620 | 0.88 | LMNA (1.00) | LMNATRPA1PTGS1CACNA1CBCHE | |
| Guaiazulen SCHEMBL29259925 | 0.88 | LMNA (1.00) | LMNATRPA1PTGS1CACNA1CBCHE | |
| Guaiazulen SCHEMBL26982 | 0.88 | LMNA (1.00) | LMNATRPA1PTGS1CACNA1CBCHE | |
| Guaiazulen SCHEMBL7916824 | 0.86 | LMNA (0.95) | LMNATRPA1PTGS1CACNA1CBCHE | |
| Guaiazulen SCHEMBL27806695 | 0.86 | LMNA (0.95) | LMNATRPA1PTGS1CACNA1CBCHE | |
| SCHEMBL31051327 | 0.83 | LMNA (0.90) | LMNATRPA1PTGS1CACNA1CBCHE | |
| SCHEMBL10416092 | 0.81 | LMNA (0.86) | LMNATRPA1PTGS1CACNA1CBCHE | |
| SCHEMBL9344445 | 0.81 | LMNA (0.59) | LMNATRPA1PTGS1CACNA1CBCHE | |
| Carvacrol SCHEMBL247417 | 0.81 | TRPA1 (0.81) | LMNATRPA1PTGS1CACNA1CBCHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |