Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28202823 | 0.88 | ALDH1A1 (0.50) | CYP19A1PLA2G10ALDH1A1TSHRVCP | |
| SCHEMBL28365057 | 0.87 | CYP19A1 (0.46) | CYP19A1PLA2G10ALDH1A1TSHRVCP | |
| SCHEMBL28365207 | 0.85 | KDM4E (0.47) | CYP19A1PLA2G10ALDH1A1TSHRVCP | |
| SCHEMBL28369134 | 0.85 | BIRC5 (0.44) | CYP19A1PLA2G10ALDH1A1TSHRVCP | |
| SCHEMBL28368802 | 0.81 | CYP19A1 (0.48) | CYP19A1ALDH1A1TSHRPPARGNOTUM | |
| SCHEMBL28369162 | 0.81 | CYP19A1 (0.43) | CYP19A1PLA2G10ALDH1A1TSHRVCP | |
| SCHEMBL28365059 | 0.80 | MDM2 (0.40) | CYP19A1PLA2G10ALDH1A1TSHRVCP | |
| SCHEMBL28365347 | 0.79 | NOTUM (0.40) | CYP19A1PLA2G10ALDH1A1TSHRVCP | |
| SCHEMBL13802516 | 0.77 | ALDH1A1 (0.72) | CYP19A1PLA2G10ALDH1A1TSHRPPARG | |
| SCHEMBL13425027 | 0.77 | HDAC10 (0.39) | CYP19A1ALDH1A1TSHRPPARGPPARA |
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-107619385-B | Method for synthesizing 2-trifluoromethyl indole by palladium-catalyzed aryl enamine intramolecular amine | 温州大学 | 2020-02-21 | — | — | CN | disclosed |