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 | 0.47 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | FAHD1 | Q6P587 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9138922 | 0.89 | FFAR3 (0.50) | CA1LMNACA4TSHRTHPO | |
| Acetic Acid SCHEMBL9138928 | 0.89 | FFAR3 (0.50) | CA1LMNACA4TSHRTHPO | |
| Acetone SCHEMBL6314337 | 0.88 | CA1 (0.50) | CA1LMNACA4TSHRTHPO | |
| Acetone SCHEMBL131531 | 0.85 | — | — | |
| Acetone SCHEMBL28917606 | 0.85 | CA1 (0.47) | CA1LMNACA4TSHRTHPO | |
| Acetone SCHEMBL28417432 | 0.85 | CA1 (0.47) | CA1LMNACA4TSHRTHPO | |
| Acetone SCHEMBL10925741 | 0.85 | CA1 (0.47) | CA1LMNACA4TSHRTHPO | |
| Methyl Alcohol SCHEMBL27980620 | 0.84 | CA1 (0.33) | CA1 | |
| Acetone SCHEMBL9146784 | 0.81 | CA1 (0.44) | CA1LMNACA4TSHRTHPO | |
| Bicarbonate SCHEMBL28477433 | 0.80 | CA1 (0.42) | CA1CA4FAHD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118201653-A | Hollow fiber membrane type blood purifier | 旭化成医疗株式会社 | 2024-06-14 | — | — | CN | disclosed |
| CN-118201654-A | Hollow fiber membrane type blood purifier | 旭化成医疗株式会社 | 2024-06-14 | — | — | CN | disclosed |
| US-5637669-A | THERMOSETTING RESIN; LIQUID CRYSTALLINE POLYMERS | THE DOW CHEMICAL COMPANY (US) | 1997-06-10 | — | — | US | disclosed |
| EP-0670856-A1 | THERMOSETTABLE COMPOSITION CONTAINING MESOGENIC MOIETIES | THE DOW CHEMICAL COMPANY (US) | 1995-09-13 | — | — | EP | disclosed |
| WO-1994012556-A2 | THERMOSETTABLE COMPOSITION CONTAINING DISCOTIC MESOGENIC MOIETIES | THE DOW CHEMICAL COMPANY (US) | 1994-06-09 | — | — | WO | disclosed |