Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Propylene Glycol Diacetate. 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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | GALR3 | O60755 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Propylene Glycol Diacetate SCHEMBL11501613 | 0.98 | TDP1 (0.50) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| Propylene Glycol Diacetate SCHEMBL8503200 | 0.93 | TDP1 (0.54) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| Propylene Glycol Diacetate SCHEMBL49091 | 0.93 | TDP1 (0.54) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| Propylene Glycol Diacetate SCHEMBL6633786 | 0.92 | TDP1 (0.46) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| Propylene Glycol Diacetate SCHEMBL8924978 | 0.89 | TDP1 (0.50) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| Propylene Glycol Diacetate SCHEMBL73617 | 0.89 | TDP1 (0.50) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| Propylene Glycol Diacetate SCHEMBL181404 | 0.87 | TDP1 (0.48) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| Propylene Glycol Diacetate SCHEMBL29006835 | 0.87 | TDP1 (0.48) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| SCHEMBL8843127 | 0.85 | TDP1 (0.47) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| SCHEMBL8862928 | 0.85 | TDP1 (0.47) | TDP1TSHRCHRM2CHRM4CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1326508-B1 | UNITARY BRUSH HAVING ABRASIVE COATED BRISTLES AND METHOD OF MAKING THE SAME | 3M INNOVATIVE PROPERTIES CO (US) | 2004-05-19 | — | — | EP | disclosed |