Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.58 |
| ▸ | PPARG | P37231 | 7/20 | 0.58 |
| ▸ | PPARD | Q03181 | 7/20 | 0.58 |
| ▸ | PPARA | Q07869 | 7/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TLR2 | O60603 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | FABP4 | P15090 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.58 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.58 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.58 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL17272316 | 1.00 | GPR84 (0.58) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL29101398 | 1.00 | GPR84 (0.58) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL29037394 | 1.00 | GPR84 (0.58) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL2052582 | 1.00 | GPR84 (0.58) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL20875303 | 0.98 | GPR84 (0.56) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL18813635 | 0.98 | AKR1B1 (0.56) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL29637717 | 0.93 | GPR84 (0.50) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL28239539 | 0.92 | GPR84 (0.54) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL2432773 | 0.91 | GPR84 (0.48) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL8960755 | 0.91 | GPR84 (0.48) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117003667-A | Design, synthesis and application of N-alkanoylglycine homologs capable of being used for retention index system | 武汉大学 | 2023-11-07 | — | — | CN | disclosed |