Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.60 |
| ▸ | CES1 | P23141 | 2/20 | 0.60 |
| ▸ | 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 | 6/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | TLR2 | O60603 | 2/20 | 0.59 |
| ▸ | FABP4 | P15090 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.59 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Heptanoate SCHEMBL29036106 | 1.00 | CES2 (0.60) | CES2CES1GPR84PPARGPPARD | |
| Palmitic Acid SCHEMBL28888259 | 1.00 | CES2 (0.60) | CES2CES1GPR84PPARGPPARD | |
| Stearic Acid SCHEMBL7759093 | 1.00 | CES2 (0.60) | CES2CES1GPR84PPARGPPARD | |
| Benzamide SCHEMBL8383228 | 0.98 | CES2 (0.59) | CES2CES1GPR84PPARGPPARD | |
| Benzamide SCHEMBL29027531 | 0.93 | TSHR (0.59) | CES2CES1GPR84PPARGPPARD | |
| Octadecanoic Acid Amide SCHEMBL29012582 | 0.91 | CES2 (0.62) | CES2CES1TSHRTDP1KMT2A | |
| Decane SCHEMBL28230778 | 0.91 | MAPT (0.67) | CES2CES1TSHRTDP1KMT2A | |
| Stearic Acid SCHEMBL830592 | 0.90 | GPR84 (0.55) | CES2CES1GPR84PPARGPPARD | |
| Benzamide SCHEMBL27581761 | 0.90 | FFAR4 (0.67) | CES2CES1GPR84PPARGPPARD | |
| Benzamide SCHEMBL28124928 | 0.89 | CYP3A4 (0.70) | CES2CES1TSHRTDP1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112898173-B | Method for preparing amide compound by photocatalytic organic amine | 湖南中医药大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-112898173-A | Method for preparing amide compound by photocatalytic organic amine | 湖南中医药大学 | 2021-06-04 | — | — | CN | disclosed |