Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Heptanoate. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.49 |
| ▸ | PPARG | P37231 | 7/20 | 0.49 |
| ▸ | PPARD | Q03181 | 7/20 | 0.49 |
| ▸ | PPARA | Q07869 | 7/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TLR2 | O60603 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | FABP4 | P15090 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL4599006 | 0.87 | CES2 (0.49) | PPARGPPARAHDAC11MEN1KMT2A | |
| Stearic Acid SCHEMBL28201794 | 0.78 | GPR84 (0.63) | MAPTRXFP1GPR84PPARGPPARD | |
| Dodecanoate SCHEMBL8723704 | 0.77 | CPA1 (0.69) | CYP1A2 | |
| Octanoic Acid SCHEMBL11522036 | 0.77 | MEN1 (0.64) | MAPTRXFP1GPR84PPARGPPARD | |
| Stearic Acid SCHEMBL27866531 | 0.77 | MAPT (0.76) | MAPTRXFP1GPR84PPARGPPARD | |
| Decanoic Acid SCHEMBL6362431 | 0.77 | GPR84 (0.61) | MAPTRXFP1GPR84PPARGPPARD | |
| Myristic Acid SCHEMBL27930372 | 0.77 | GPR84 (0.61) | MAPTRXFP1GPR84PPARGPPARD | |
| Dodecanoate SCHEMBL28105067 | 0.77 | GPR84 (0.61) | MAPTRXFP1GPR84PPARGPPARD | |
| SCHEMBL27650570 | 0.77 | FFAR4 (0.54) | MAPTRXFP1GPR84PPARGPPARD | |
| Hexanoate SCHEMBL27672924 | 0.76 | AKR1B1 (0.61) | MAPTRXFP1GPR84PPARGPPARD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103764628-B | For electrochemistry or the sulfur-containing additive of electrooptical device | 巴斯夫欧洲公司 | 2016-09-21 | — | — | CN | disclosed |