Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28885919 | 0.87 | ALDH1A1 (0.38) | TSHRALDH1A1HSD17B10ADRA1DADRA1A | |
| SCHEMBL28373303 | 0.74 | ALOX5 (0.37) | TSHRALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL28375696 | 0.71 | OPRD1 (0.44) | TSHRALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL27714530 | 0.71 | TSHR (0.65) | TSHRALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL28373055 | 0.69 | ALDH1A1 (0.38) | TSHRALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL739464 | 0.69 | TSHR (0.71) | TSHRALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL550205 | 0.68 | KCNH2 (0.47) | TSHRALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL8564051 | 0.68 | KCNH2 (0.47) | TSHRALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL18878050 | 0.67 | TSHR (0.50) | TSHRALDH1A1HSD17B10ADRA1DADRA1A | |
| Diethyl Phthalate SCHEMBL27603722 | 0.67 | TSHR (0.88) | TSHRALDH1A1HSD17B10KDM4EHPGD |
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 |