Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28369737 | 0.86 | PTPN5 (0.51) | TSHRALDH1A1HTTPOLBS1PR2 | |
| SCHEMBL28373077 | 0.85 | S1PR2 (0.57) | TSHRALDH1A1HTTPOLBL3MBTL1 | |
| SCHEMBL28369732 | 0.85 | S1PR2 (0.49) | TSHRALDH1A1HTTPOLBS1PR2 | |
| SCHEMBL28369520 | 0.85 | S1PR2 (0.49) | TSHRALDH1A1HTTS1PR2MAPT | |
| SCHEMBL28375685 | 0.85 | S1PR2 (0.57) | TSHRALDH1A1HTTS1PR2MAPT | |
| SCHEMBL28167902 | 0.84 | KDM4E (0.57) | TSHRALDH1A1HTTHPGDPOLB | |
| SCHEMBL28375698 | 0.84 | PTPN5 (0.56) | TSHRALDH1A1HTTPOLBS1PR2 | |
| SCHEMBL28373924 | 0.84 | ALDH1A1 (0.57) | TSHRALDH1A1HTTHPGDPOLB | |
| SCHEMBL28885207 | 0.81 | MAPT (0.52) | TSHRALDH1A1POLBS1PR2MAPT | |
| SCHEMBL28369364 | 0.80 | MAPT (0.57) | ALDH1A1S1PR2MAPTKMT2AKDM4E |
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 |