Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | HNF4A | P41235 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | MDH2 | P40926 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28375696 | 0.83 | OPRD1 (0.44) | ALOX5HNF4ATSHRGAAALDH1A1 | |
| SCHEMBL28373055 | 0.83 | ALDH1A1 (0.38) | ALOX5CHRNB2CHRNA4TSHRALDH1A1 | |
| SCHEMBL28369314 | 0.75 | EPHX1 (0.43) | HNF4AKDM4EHPGDOPRD1CYP3A4 | |
| SCHEMBL28369893 | 0.74 | TSHR (0.43) | TSHRGAAALDH1A1KDM4EMAPT | |
| SCHEMBL23501649 | 0.67 | ALDH1A1 (0.47) | NPC1TSHRGAAALDH1A1KDM4E | |
| SCHEMBL29934095 | 0.67 | ALDH1A1 (0.47) | NPC1TSHRGAAALDH1A1KDM4E | |
| SCHEMBL16159970 | 0.66 | CA1 (0.50) | TSHRGAAALDH1A1KDM4EMAPT | |
| SCHEMBL28375303 | 0.65 | GPR84 (0.51) | NPC1KIF11GAAMAPTRAB9A | |
| SCHEMBL31691457 | 0.65 | NOTUM (0.50) | TSHRGAAALDH1A1KDM4EMAPT | |
| SCHEMBL3042387 | 0.65 | MTNR1A (0.40) | TSHRGAAALDH1A1KDM4EMAPT |
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 |