Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29864864 | 0.87 | TSHR (0.62) | ACHEHSD17B10MAPTTDP1LMNA | |
| SCHEMBL4259701 | 0.87 | TSHR (0.62) | ACHEHSD17B10MAPTTDP1LMNA | |
| SCHEMBL14231704 | 0.86 | MAPT (0.57) | ACHEHSD17B10MAPTTDP1TSHR | |
| SCHEMBL12570849 | 0.86 | TSHR (0.60) | ACHEHSD17B10MAPTTDP1LMNA | |
| SCHEMBL4667166 | 0.83 | ALDH1A1 (0.58) | MAPTTDP1LMNATSHRALDH1A1 | |
| SCHEMBL10711868 | 0.83 | TDP1 (0.59) | MAPTTDP1LMNATSHRALDH1A1 | |
| SCHEMBL2137404 | 0.82 | ALDH1A1 (0.63) | ACHEMAPTTDP1LMNATSHR | |
| SCHEMBL10451878 | 0.81 | TXNRD1 (0.54) | MAPTTDP1LMNATSHRALDH1A1 | |
| SCHEMBL9031419 | 0.81 | TDP1 (0.49) | ACHEHSD17B10MAPTTDP1TSHR | |
| SCHEMBL10452690 | 0.81 | PTGS2 (0.52) | MAPTTDP1LMNATSHRALDH1A1 |
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-110713454-A | Nitro-substituted indole compound and preparation method thereof | 南京工业大学 | 2020-01-21 | — | — | CN | claimed |
| CN-110713454-B | Nitro-substituted indole compound and preparation method thereof | 南京工业大学 | 2022-12-09 | — | — | CN | disclosed |
| CN-110713454-A | Nitro-substituted indole compound and preparation method thereof | 南京工业大学 | 2020-01-21 | — | — | CN | disclosed |