Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | 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 | 4/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.56 |
| ▸ | FABP4 | P15090 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TLR2 | O60603 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 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 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL5547721 | 0.93 | AKR1B1 (0.70) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL27775813 | 0.91 | GPR84 (0.71) | AKR1B1GPR84PPARGPPARDPPARA | |
| Behenic Acid SCHEMBL27765902 | 0.91 | GPR84 (0.71) | AKR1B1GPR84PPARGPPARDPPARA | |
| Nonanoate SCHEMBL27725198 | 0.91 | GPR84 (0.71) | AKR1B1GPR84PPARGPPARDPPARA | |
| Decanoic Acid SCHEMBL27716174 | 0.91 | GPR84 (0.71) | AKR1B1GPR84PPARGPPARDPPARA | |
| Butyric Acid SCHEMBL10655751 | 0.86 | FFAR3 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Valeric Acid SCHEMBL3409760 | 0.85 | AKR1B1 (0.70) | AKR1B1GPR84PPARGPPARDPPARA | |
| Valeric Acid SCHEMBL28239218 | 0.83 | AKR1B1 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Valeric Acid SCHEMBL30236295 | 0.83 | AKR1B1 (0.67) | AKR1B1GPR84PPARGPPARDPPARA | |
| Valeric Acid SCHEMBL15261405 | 0.83 | AKR1B1 (0.67) | AKR1B1GPR84PPARGPPARDPPARA |
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 |
|---|---|---|---|---|---|---|---|
| CN-102112451-A | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2011-06-29 | — | — | CN | disclosed |