Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1SLC9A3
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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 7/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
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 SCHEMBL26606382 | 0.96 | FABP3 (0.58) | FABP3NFKB1CA1GPR84CES2 | |
| Octanoic Acid SCHEMBL526185 | 0.96 | FABP3 (0.58) | FABP3NFKB1CA1GPR84CES2 | |
| Stearic Acid SCHEMBL28189381 | 0.96 | FABP3 (0.58) | FABP3NFKB1CA1GPR84CES2 | |
| Stearic Acid SCHEMBL6654230 | 0.96 | FABP3 (0.58) | FABP3NFKB1CA1GPR84CES2 | |
| Stearic Acid SCHEMBL6652003 | 0.96 | CA1 (0.61) | FABP3NFKB1CA1GPR84CES2 | |
| Stearic Acid SCHEMBL30298121 | 0.94 | FABP3 (0.56) | FABP3NFKB1CA1GPR84CES2 | |
| Valeric Acid SCHEMBL4734164 | 0.88 | CA1 (0.67) | FABP3NFKB1CA1GPR84CES2 | |
| Stearic Acid SCHEMBL25307989 | 0.88 | FABP3 (0.62) | FABP3NFKB1CA1GPR84CES2 | |
| Stearic Acid SCHEMBL28372664 | 0.88 | FABP3 (0.62) | FABP3NFKB1CA1GPR84CES2 | |
| Stearic Acid SCHEMBL28367926 | 0.88 | FABP3 (0.62) | FABP3NFKB1CA1GPR84CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140163217-A1 | PROCESS FOR THE ESTERIFICATION OF HYALURONIC ACID WITH HYDROPHOBIC ORGANIC COMPOUNDS | UNIVERSITE DE GENEVE (CH) | 2014-06-12 | — | — | US | disclosed |
| EP-2598536-A1 | PROCESS FOR THE ESTERIFICATION OF HYALURONIC ACID WITH HYDROPHOBIC ORGANIC COMPOUNDS | Université de Genève (CH) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012013670-A1 | PROCESS FOR THE ESTERIFICATION OF HYALURONIC ACID WITH HYDROPHOBIC ORGANIC COMPOUNDS | UNIVERSITY OF GENEVA (CH) | 2012-02-02 | — | — | WO | disclosed |