Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30145 | 0.85 | KDM4E (0.56) | KDM4EAHRHPGDMAPTDAO | |
| SCHEMBL30063522 | 0.85 | KDM4E (0.56) | KDM4EAHRHPGDMAPTDAO | |
| Hydrochloric Acid SCHEMBL7485650 | 0.85 | KDM4E (0.56) | KDM4EAHRHPGDMAPTDAO | |
| Methyl Alcohol SCHEMBL28456866 | 0.83 | KDM4E (0.51) | KDM4EAHRHPGDMAPTDAO | |
| Benzenethiol SCHEMBL28338725 | 0.79 | KDM4E (0.47) | KDM4EAHRHPGDMAPTDAO | |
| SCHEMBL4419425 | 0.71 | AHR (0.53) | KDM4EAHRHPGDMAPTDAO | |
| SCHEMBL28686177 | 0.71 | IDO1 (0.43) | IDO1KDM4EAHRHPGDMAPT | |
| SCHEMBL4419422 | 0.70 | AHR (0.51) | KDM4EAHRHPGDMAPTDAO | |
| SCHEMBL28864005 | 0.69 | AHR (0.53) | KDM4EAHRHPGDMAPTDAO | |
| Indole SCHEMBL27534437 | 0.69 | TRPA1 (0.65) | TSHRAHRNPC1CYP1A2CYP2C9 |
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-112920220-B | Method for aqueous phase synthesis of trifluoromethyl-containing C-2 phosphonoindole | 南京林业大学 | 2021-11-02 | — | — | CN | disclosed |
| CN-112920220-A | Method for aqueous phase synthesis of trifluoromethyl-containing C-2 phosphonoindole | 南京林业大学 | 2021-06-08 | — | — | CN | disclosed |
| CN-109293550-B | Trifluoromethyl-containing 3, 6' -asymmetric bis-indole compound and synthesis method thereof | 南京林业大学 | 2020-09-25 | — | — | CN | disclosed |