Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28369578 | 0.88 | ALDH1A1 (0.43) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28373429 | 0.84 | SRC (0.43) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28373799 | 0.84 | KMT2A (0.41) | ALDH1A1KMT2AKDM4EMEN1L3MBTL1 | |
| SCHEMBL28369458 | 0.81 | NR4A2 (0.45) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28375303 | 0.76 | GPR84 (0.51) | MAPTKIF11CREBBPNR4A2PARP1 | |
| SCHEMBL28369336 | 0.75 | TSHR (0.43) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28370254 | 0.72 | NR4A2 (0.37) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28369523 | 0.72 | KMT2A (0.45) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28373390 | 0.72 | SRC (0.44) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28373306 | 0.72 | CREBBP (0.41) | ALDH1A1KMT2AKDM4EL3MBTL1SRC |
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 |