Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | PPARG | P37231 | 7/20 | 0.46 |
| ▸ | PPARD | Q03181 | 7/20 | 0.46 |
| ▸ | PPARA | Q07869 | 7/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TLR2 | O60603 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Nonane SCHEMBL28068317 | 1.00 | GPR84 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| Decane SCHEMBL28068395 | 1.00 | GPR84 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| Heptane SCHEMBL29285178 | 1.00 | GPR84 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| Butane SCHEMBL28189385 | 0.87 | CA1 (0.38) | TSHRALDH1A1TDP1HSD17B10MEN1 | |
| Propane SCHEMBL1965258 | 0.85 | DGAT1 (0.39) | TSHRALDH1A1TDP1MEN1KMT2A | |
| Butylamine SCHEMBL3926203 | 0.85 | DNM1 (0.37) | HDAC11TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL74329 | 0.82 | — | — | |
| SCHEMBL21436131 | 0.82 | DGAT1 (0.43) | TSHRALDH1A1TDP1MEN1KMT2A | |
| Dodecane SCHEMBL27624776 | 0.81 | ALDH1A1 (0.44) | GPR84PPARGPPARDPPARAHDAC11 | |
| Heptane SCHEMBL5841596 | 0.81 | ALDH1A1 (0.44) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109415371-A | Novel 2-acylamino thiazole derivative and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-105732636-A | Hetero-aromatic compounds and applications thereof in pharmacy | 广东东阳光药业有限公司 | 2016-07-06 | — | — | CN | disclosed |