Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28369364 | 0.90 | MAPT (0.57) | PTPN5ALDH1A1MAPTLMNAGAA | |
| SCHEMBL28374673 | 0.90 | PTPN5 (0.52) | PTPN5ALDH1A1MAPTLMNAGAA | |
| SCHEMBL28369305 | 0.90 | MEN1 (0.57) | PTPN5ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL28885207 | 0.89 | MAPT (0.52) | PTPN5ALDH1A1MAPTLMNAGAA | |
| SCHEMBL28369439 | 0.87 | KCNJ5 (0.56) | PTPN5ALDH1A1MAPTLMNAGAA | |
| SCHEMBL28885914 | 0.87 | USP2 (0.58) | ALDH1A1MAPTLMNAGAADUSP3 | |
| SCHEMBL28374671 | 0.87 | ALDH1A1 (0.58) | PTPN5ALDH1A1MAPTLMNAGAA | |
| SCHEMBL28369298 | 0.87 | KMT2A (0.60) | PTPN5ALDH1A1MAPTLMNAGAA | |
| SCHEMBL28369574 | 0.86 | MAPT (0.60) | PTPN5ALDH1A1MAPTLMNAGAA | |
| SCHEMBL28167902 | 0.85 | KDM4E (0.57) | ALDH1A1LMNAGAAMEN1KMT2A |
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 |