Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 15/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28601267 | 1.00 | FFAR1 (0.50) | FFAR1PPARDESR1ESR2PPARA | |
| SCHEMBL27787756 | 0.88 | FFAR1 (0.60) | FFAR1PPARDPPARA | |
| SCHEMBL3411465 | 0.84 | ESR1 (0.62) | FFAR1PPARDESR1ESR2PPARA | |
| SCHEMBL28600648 | 0.82 | MTNR1A (0.48) | NQO2MTNR1AMTNR1B | |
| SCHEMBL28600649 | 0.82 | MTNR1A (0.48) | NQO2MTNR1AMTNR1B | |
| SCHEMBL29405721 | 0.81 | CYP19A1 (0.49) | FFAR1 | |
| SCHEMBL18321998 | 0.81 | CYP19A1 (0.49) | FFAR1 | |
| SCHEMBL6971410 | 0.80 | ESR1 (0.45) | ESR1ESR2NQO2MTNR1AMTNR1B | |
| SCHEMBL17361614 | 0.79 | FFAR1 (0.51) | FFAR1PPARDESR1ESR2PPARA | |
| SCHEMBL8037012 | 0.78 | PPARD (0.48) | FFAR1PPARDESR1ESR2PPARA |
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-113121398-B | Arylalkylamine compound, preparation method and medical application thereof | 上海拓界生物医药科技有限公司 | 2023-06-20 | — | — | CN | disclosed |
| CN-113121398-A | Aryl alkylamine compound, preparation method and application thereof in medicine | 上海拓界生物医药科技有限公司 | 2021-07-16 | — | — | CN | disclosed |