Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PTPRC | P08575 | 3/20 | 0.41 |
| ▸ | S100A4 | P26447 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CASP9 | P55211 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2060979 | 0.75 | CYP3A4 (0.40) | CYP1A2PTPRCS100A4CASP1CASP3 | |
| SCHEMBL5386491 | 0.71 | CASP1 (0.48) | PTPRCS100A4CASP1CASP3CASP4 | |
| SCHEMBL14017942 | 0.70 | PTPRC (0.53) | CYP1A2PTPRCS100A4CASP1CASP3 | |
| SCHEMBL2061519 | 0.68 | CYP1A2 (0.44) | CYP1A2PTPRCS100A4CASP1CASP3 | |
| SCHEMBL30070354 | 0.67 | ALOX5 (0.62) | PTPRCS100A4ALDH1A1ACHECA1 | |
| SCHEMBL6207633 | 0.67 | ALOX5 (0.62) | PTPRCS100A4ALDH1A1ACHECA1 | |
| SCHEMBL2060978 | 0.67 | CYP1A2 (0.39) | CYP1A2PTPRCS100A4CASP1CASP3 | |
| SCHEMBL5513769 | 0.64 | AR (0.43) | CYP1A2ALDH1A1HTTLMNAMAPT | |
| SCHEMBL2061213 | 0.64 | TDP1 (0.42) | CYP1A2PTPRCS100A4CASP1CASP3 | |
| SCHEMBL26621563 | 0.64 | CASP3 (0.77) | PTPRCS100A4CASP1CASP3CASP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-85103724-B | Process for preparing pyrrolobenzimidazoles | 曼海姆伯灵格股份公司 | 1988-07-06 | — | — | CN | disclosed |
| CN-85103724-A | The method for preparing novel pyrrolo-benzoglyoxaline | — | 1986-07-02 | — | — | CN | disclosed |