Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAT2A | P31153 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28368790 | 0.89 | KDM4E (0.44) | CYP19A1NOTUMHTTALDH1A1HPGD | |
| SCHEMBL28368802 | 0.84 | CYP19A1 (0.48) | CYP19A1NOTUMHTTALDH1A1HPGD | |
| SCHEMBL28365127 | 0.81 | NOTUM (0.52) | CYP19A1NOTUMHTTALDH1A1MAPK1 | |
| SCHEMBL28369700 | 0.80 | NOTUM (0.50) | NOTUMHTTALDH1A1HPGDMAPK1 | |
| SCHEMBL28885169 | 0.79 | NOTUM (0.47) | NOTUMALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL28202823 | 0.78 | ALDH1A1 (0.50) | CYP19A1NOTUMHTTALDH1A1MAPK1 | |
| SCHEMBL28365266 | 0.78 | TDP2 (0.47) | NOTUMCYP1A2MAT2APLA2G10MEN1 | |
| SCHEMBL28368799 | 0.77 | NOTUM (0.46) | CYP19A1NOTUMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL7859947 | 0.74 | CYP19A1 (0.49) | CYP19A1HTTALDH1A1HPGDMAPK1 | |
| SCHEMBL28365593 | 0.72 | NOTUM (0.49) | CYP19A1NOTUMHTTALDH1A1MAPK1 |
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 |