Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetone. 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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.50 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL9146784 | 0.93 | CA1 (0.44) | CA1LMNACA4TSHRTHPO | |
| Acetic Acid SCHEMBL8164706 | 0.88 | FFAR3 (0.54) | CA1LMNACA4TSHRTHPO | |
| Acetone SCHEMBL10925741 | 0.88 | CA1 (0.47) | CA1LMNACA4TSHRTHPO | |
| Acetic Acid SCHEMBL28218335 | 0.88 | FFAR3 (0.54) | CA1LMNACA4TSHRTHPO | |
| Acetone SCHEMBL8840855 | 0.88 | CA1 (0.47) | CA1LMNACA4TSHRTHPO | |
| Acetone SCHEMBL131531 | 0.88 | — | — | |
| Acetone SCHEMBL28417432 | 0.88 | CA1 (0.47) | CA1LMNACA4TSHRTHPO | |
| Acetic Acid SCHEMBL8349268 | 0.88 | FFAR3 (0.54) | CA1LMNACA4TSHRTHPO | |
| Acetone SCHEMBL28917606 | 0.88 | CA1 (0.47) | CA1LMNACA4TSHRTHPO | |
| Acetic Acid SCHEMBL8169112 | 0.85 | FFAR3 (0.50) | CA1LMNACA4TSHRTHPO |
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-6840319-B1 | Methods, compositions and biodegradable fluid loss control additives for cementing subterranean zones | HALLIBURTON ENERGY SERVICES, INC. (US) | 2005-01-11 | — | — | US | disclosed |
| CN-1531442-A | Perylenequinones for use as photosensitizers and sonosensitizers | ����˹���ѧ���»� | 2004-09-22 | — | — | CN | disclosed |