Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Butyl Ester. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.78 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL301515 | 0.96 | ALDH1A1 (0.86) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL4160553 | 0.96 | ALDH1A1 (0.86) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL19712585 | 0.96 | ALDH1A1 (0.86) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL13518089 | 0.96 | ALDH1A1 (0.86) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL3975972 | 0.93 | ALDH1A1 (0.90) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL27507374 | 0.92 | ALDH1A1 (0.72) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL28021488 | 0.91 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Pentyl Ester SCHEMBL27781076 | 0.91 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL28881445 | 0.91 | ALDH1A1 (0.86) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL28080191 | 0.91 | ALDH1A1 (0.86) | ALDH1A1LMNAHSD17B10TSHRATM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016188506-A1 | SOLID FORMS OF 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]QUINAZOLIN-4-ONE AND PREPARATION THEREOF | ZENTIVA, K.S. (CZ) | 2016-12-01 | — | — | WO | disclosed |
| CN-101632627-B | Solution for ungual and peri-ungual application | GALDERMA RES AND DEV S N C | 2013-01-16 | — | — | CN | disclosed |
| CN-101632627-A | Solution for ungual and peri-ungual application | GALDERMA RES AND DEV S N C | 2010-01-27 | — | — | CN | disclosed |
| CN-100542610-C | Solution for coating nail and nail week and its use in preparing medicine for treating mycosis | GALDERMA SA (CH) | 2009-09-23 | — | — | CN | disclosed |
| CN-1703246-A | Solution for applying to and around nails | GALDERMA SA (CH) | 2005-11-30 | — | — | CN | disclosed |