Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | ITGAL | P20701 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17356182 | 0.95 | — | — | |
| SCHEMBL29418051 | 0.95 | — | — | |
| SCHEMBL9602 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6186117 | 0.93 | CYP3A4 (0.56) | CYP3A4TSHRCA1CA2EGFR | |
| Fluoride SCHEMBL27766501 | 0.93 | CYP3A4 (0.56) | CYP3A4TSHRCA1CA2EGFR | |
| Iodide SCHEMBL31415635 | 0.93 | CYP3A4 (0.56) | CYP3A4TSHRCA1CA2EGFR | |
| Ammonia Solution, Strong SCHEMBL27721437 | 0.93 | CYP3A4 (0.56) | CYP3A4TSHRCA1CA2EGFR | |
| SCHEMBL27566690 | 0.85 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2EGFR | |
| Piperazine SCHEMBL5550673 | 0.83 | CYP3A4 (0.46) | CYP3A4TSHRCA1CA2EGFR | |
| SCHEMBL27536600 | 0.81 | ALDH1A1 (0.48) | CYP3A4TSHRCA1CA2EGFR |
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-107207515-B | Pyrazine compounds for the treatment of infectious diseases | 豪夫迈·罗氏有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-107207515-A | Pyrazine compounds for the treatment of infectious diseases | 豪夫迈·罗氏有限公司 | 2017-09-26 | — | — | CN | disclosed |