Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
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 | 0.82 | OPRD1 (0.44) | EPHX1HNF4AMEN1KMT2APKM | |
| SCHEMBL28373303 | 0.75 | ALOX5 (0.37) | HNF4AKMT2ACYP3A4CYP2C19HPGD | |
| SCHEMBL28373055 | 0.75 | ALDH1A1 (0.38) | LOXL2KMT2AHPGDKDM4EOPRD1 | |
| SCHEMBL23582664 | 0.67 | LOXL2 (0.59) | EPHX1LOXL2MEN1KMT2ACYP3A4 | |
| SCHEMBL2659503 | 0.66 | EPHX1 (0.55) | EPHX1LOXL2MEN1KMT2ACYP2C19 | |
| SCHEMBL2647043 | 0.66 | EPHX1 (0.55) | EPHX1LOXL2MEN1KMT2ACYP2C19 | |
| SCHEMBL28369893 | 0.66 | TSHR (0.43) | MEN1KMT2ACYP3A4CYP2C19HPGD | |
| SCHEMBL14588991 | 0.64 | DPP4 (0.56) | LOXL2CYP2C19 | |
| SCHEMBL10662499 | 0.64 | LOXL2 (0.68) | LOXL2 | |
| SCHEMBL65867 | 0.64 | LOXL2 (0.68) | LOXL2 |
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 |