Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.64 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.64 |
| ▸ | PPARG | P37231 | 7/20 | 0.64 |
| ▸ | PPARD | Q03181 | 7/20 | 0.64 |
| ▸ | PPARA | Q07869 | 7/20 | 0.64 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 4/20 | 0.64 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | TLR2 | O60603 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | FABP4 | P15090 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.64 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| 2-Tridecanone SCHEMBL8658406 | 1.00 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| Methyl Nonyl Ketone SCHEMBL5171343 | 1.00 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| Acetic Acid SCHEMBL8659991 | 1.00 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| Acetic Acid SCHEMBL28957708 | 1.00 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| Acetic Acid SCHEMBL5305838 | 0.97 | AKR1B1 (0.62) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hydrogen Peroxide SCHEMBL2361360 | 0.97 | GPR84 (0.67) | GPR84PPARGPPARDPPARAHDAC11 | |
| Methyl Nonyl Ketone SCHEMBL10344896 | 0.95 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL24005728 | 0.95 | CES2 (0.65) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL536829 | 0.95 | CES2 (0.65) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL966763 | 0.95 | CES2 (0.65) | GPR84PPARGPPARDPPARAHDAC11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1009747-A1 | UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS | Roche Diagnostics GmbH (DE) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999012917-A1 | UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS | ROCHE DIAGNOSTICS GMBH (DE) | 1999-03-18 | — | — | WO | disclosed |
| US-4410534-A | 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors | SYNTEX (U.S.A.) INC. (US) | 1983-10-18 | — | — | US | disclosed |