Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Nonanoate SCHEMBL5551089 | 0.98 | GPR84 (0.53) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Dodecanoate SCHEMBL5551415 | 0.98 | GPR84 (0.53) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Decanoic Acid SCHEMBL5551402 | 0.98 | GPR84 (0.53) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Octanoic Acid SCHEMBL5551524 | 0.98 | GPR84 (0.53) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Heptanoate SCHEMBL5552606 | 0.98 | GPR84 (0.53) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Undecanoate SCHEMBL5549624 | 0.98 | GPR84 (0.53) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Valeric Acid SCHEMBL5551421 | 0.95 | CYP2D6 (0.48) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| SCHEMBL9249058 | 0.92 | GPR84 (0.61) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Decanoic Acid SCHEMBL29747007 | 0.90 | PAOX (0.61) | AKR1B1CYP2D6NFKB1GPR84PPARG | |
| Butyric Acid SCHEMBL5551157 | 0.90 | PAOX (0.47) | CYP2D6NFKB1HDAC11TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | claimed |