Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 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 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 SCHEMBL48035 | 0.91 | — | — | |
| Acetone SCHEMBL27548946 | 0.91 | LMNA (0.60) | LMNACA4TSHRTHPOFFAR3 | |
| Acetone SCHEMBL11461983 | 0.91 | LMNA (0.60) | LMNACA4TSHRTHPOFFAR3 | |
| Acetone SCHEMBL11461982 | 0.91 | LMNA (0.60) | LMNACA4TSHRTHPOFFAR3 | |
| Acetone SCHEMBL1419519 | 0.91 | LMNA (0.60) | LMNACA4TSHRTHPOFFAR3 | |
| Acetone SCHEMBL5756892 | 0.91 | LMNA (0.60) | LMNACA4TSHRTHPOFFAR3 | |
| Acetone SCHEMBL2143494 | 0.91 | LMNA (0.60) | LMNACA4TSHRTHPOFFAR3 | |
| Acetone SCHEMBL9234736 | 0.91 | LMNA (0.60) | LMNACA4TSHRTHPOFFAR3 | |
| Acetone SCHEMBL3946984 | 0.87 | — | — | |
| Acetone SCHEMBL1318046 | 0.87 | LMNA (0.55) | LMNACA4TSHRTHPOFFAR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4259509-A | ANTICHOLESTEROL, ANTILIPEMIC, DIURETIC | ALBERT ROLLAND S.A. (FR) | 1981-03-31 | — | — | US | disclosed |