Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Octanoic Acid. 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 | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.59 |
| ▸ | PPARG | P37231 | 7/20 | 0.59 |
| ▸ | PPARD | Q03181 | 7/20 | 0.59 |
| ▸ | PPARA | Q07869 | 7/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.59 |
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | TLR2 | O60603 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | FABP4 | P15090 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.59 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
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 SCHEMBL27541455 | 0.98 | GPR84 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| Nonanoate SCHEMBL21603090 | 0.98 | GPR84 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL27495786 | 0.98 | GPR84 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hexanoate SCHEMBL10610885 | 0.98 | AKR1B1 (0.57) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL11386337 | 0.97 | GPR84 (0.59) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL28146106 | 0.97 | GPR84 (0.59) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL2124215 | 0.97 | GPR84 (0.59) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hexanoate SCHEMBL29178029 | 0.96 | AKR1B1 (0.59) | GPR84PPARGPPARDPPARAHDAC11 | |
| Valeric Acid SCHEMBL1865442 | 0.93 | CES2 (0.53) | GPR84PPARGPPARDPPARAHDAC11 | |
| Valeric Acid SCHEMBL15455275 | 0.91 | CES2 (0.55) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5962002-A | 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS | BTG INTERNATIONAL LIMITED (GB) | 1999-10-05 | — | — | US | disclosed |
| EP-0802730-B1 | PESTICIDAL COMPOUNDS | BTG INT LTD (GB) | 1999-06-23 | — | — | EP | disclosed |