Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.38 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.36 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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) | CYP19A1ALDH1A1TSHRPLA2G10KDM4E | |
| SCHEMBL28369113 | 0.87 | CYP19A1 (0.52) | CYP19A1ALDH1A1TSHRPLA2G10VCP | |
| SCHEMBL28369134 | 0.85 | BIRC5 (0.44) | CYP19A1ALDH1A1TSHRPLA2G10KDM4E | |
| SCHEMBL28365207 | 0.85 | KDM4E (0.47) | CYP19A1ALDH1A1TSHRPLA2G10KDM4E | |
| SCHEMBL28885169 | 0.82 | NOTUM (0.47) | ALDH1A1TSHRPLA2G10KDM4EKMT2A | |
| SCHEMBL28369162 | 0.81 | CYP19A1 (0.43) | CYP19A1ALDH1A1TSHRPLA2G10KDM4E | |
| SCHEMBL28368802 | 0.81 | CYP19A1 (0.48) | CYP19A1ALDH1A1TSHRMAPTNOTUM | |
| SCHEMBL28365059 | 0.80 | MDM2 (0.40) | CYP19A1ALDH1A1TSHRPLA2G10MAPT | |
| SCHEMBL28365347 | 0.79 | NOTUM (0.40) | CYP19A1ALDH1A1TSHRPLA2G10KDM4E | |
| SCHEMBL28369168 | 0.78 | MAPT (0.46) | CYP19A1ALDH1A1TSHRPLA2G10KMT2A |
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 |