Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28369949 | 0.87 | NR4A2 (0.58) | KMT2AALDH1A1GPR84HTR2AHTR2C | |
| SCHEMBL27586464 | 0.81 | ALDH1A1 (0.56) | KMT2APKMTSHRKDM4EALDH1A1 | |
| SCHEMBL1970759 | 0.79 | PKM (0.53) | KMT2APKMKDM4EALDH1A1GPR84 | |
| SCHEMBL730525 | 0.77 | NR4A2 (0.69) | KMT2APKMTSHRKDM4EALDH1A1 | |
| SCHEMBL28369964 | 0.76 | TSHR (0.44) | KMT2APKMTSHRKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL30718988 | 0.76 | NR4A2 (0.67) | KMT2APKMTSHRKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL28308377 | 0.76 | NR4A2 (0.67) | KMT2APKMTSHRKDM4EALDH1A1 | |
| SCHEMBL9584209 | 0.75 | PKM (0.55) | KMT2APKMKDM4EALDH1A1GPR84 | |
| SCHEMBL28369336 | 0.74 | TSHR (0.43) | KMT2ATSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL28369467 | 0.74 | NR4A2 (0.59) | KMT2AKDM4EALDH1A1HSD17B10HTR2A |
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 |