Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | PLA2G10 | O15496 | 3/20 | 0.44 |
| ▸ | VCP | P55072 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28365057 | 0.88 | CYP19A1 (0.46) | ALDH1A1TSHRNOTUMPLA2G10VCP | |
| SCHEMBL28369113 | 0.88 | CYP19A1 (0.52) | ALDH1A1TSHRNOTUMPLA2G10VCP | |
| SCHEMBL28369700 | 0.87 | NOTUM (0.50) | ALDH1A1TSHRNOTUMPLA2G10VCP | |
| SCHEMBL28365207 | 0.86 | KDM4E (0.47) | ALDH1A1TSHRNOTUMPLA2G10VCP | |
| SCHEMBL28369134 | 0.86 | BIRC5 (0.44) | ALDH1A1TSHRNOTUMPLA2G10VCP | |
| SCHEMBL28365347 | 0.83 | NOTUM (0.40) | ALDH1A1TSHRNOTUMPLA2G10VCP | |
| SCHEMBL28885169 | 0.83 | NOTUM (0.47) | ALDH1A1TSHRNOTUMPLA2G10VCP | |
| SCHEMBL28369162 | 0.82 | CYP19A1 (0.43) | ALDH1A1TSHRNOTUMPLA2G10VCP | |
| SCHEMBL28368802 | 0.82 | CYP19A1 (0.48) | ALDH1A1TSHRNOTUML3MBTL1CYP19A1 | |
| SCHEMBL28365266 | 0.82 | TDP2 (0.47) | NOTUMPLA2G10L3MBTL1TDP2MAT2A |
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 3 patents. 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 |
| CN-105636951-B | Amide derivatives and its officinal salt, its preparation method and its application in medicine | 上海恒瑞医药有限公司 | 2018-05-15 | — | — | CN | disclosed |
| CN-107619385-A | A kind of method that palladium chtalyst aryl enamine intramolecular amination synthesizes 2 trifluoro methyl indoles | 温州大学 | 2018-01-23 | — | — | CN | disclosed |