Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28374383 | 0.94 | MAPT (0.56) | MAPTKMT2AALDH1A1HPGDMEN1 | |
| SCHEMBL14441237 | 0.83 | MAPT (0.69) | MAPTKMT2AKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28370034 | 0.78 | POLB (0.53) | MAPTKDM4EALDH1A1HPGDCYP2D6 | |
| SCHEMBL19399613 | 0.76 | ALDH1A1 (0.74) | MAPTKMT2AKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL5425614 | 0.76 | MAPT (0.57) | MAPTKMT2AKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL9208939 | 0.76 | MAPT (0.62) | MAPTKMT2AALDH1A1HPGDMEN1 | |
| SCHEMBL28373439 | 0.76 | MAPT (0.74) | MAPTKMT2AKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28373936 | 0.76 | POLB (0.50) | MAPTKMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL4565884 | 0.75 | HDAC3 (0.57) | MAPTKMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL15143031 | 0.74 | KMT2A (0.68) | MAPTKMT2AALDH1A1HPGDMEN1 |
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-107149602-B | Application of indole compounds and derivatives thereof in preparation of anti-HIV drugs | 中国医学科学院药物研究所 | 2020-10-09 | — | — | CN | disclosed |
| CN-107149603-B | Application of indole compounds and derivatives thereof in preparation of anti-influenza virus drugs | 中国医学科学院药物研究所 | 2020-07-14 | — | — | CN | disclosed |
| CN-107176921-B | Indole compounds with antiviral activity in isatis root and derivatives thereof | 中国医学科学院药物研究所 | 2020-03-31 | — | — | CN | disclosed |