Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of 2-Nonanone. 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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.59 |
| ▸ | CES1 | P23141 | 4/20 | 0.59 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.56 |
| ▸ | PPARG | P37231 | 7/20 | 0.56 |
| ▸ | PPARD | Q03181 | 7/20 | 0.56 |
| ▸ | PPARA | Q07869 | 7/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TLR2 | O60603 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | FABP4 | P15090 | 2/20 | 0.56 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.56 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6894926 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD | |
| 2-Tridecanone SCHEMBL19838551 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD | |
| 2-Nonanone SCHEMBL4485770 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL24005728 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL21044722 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD | |
| 2-Dodecanone SCHEMBL23501396 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD | |
| 2-Nonanone SCHEMBL4562318 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD | |
| 2-Tridecanone SCHEMBL119126 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL43776 | 0.95 | — | — | |
| SCHEMBL11144661 | 0.95 | CES2 (0.65) | CES2CES1GPR84PPARGPPARD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020200191-A1 | EGFR INHIBITORS, COMPOSITIONS AND METHODS THERE OF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2020-10-08 | — | — | WO | disclosed |