Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.47 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | FYN | P06241 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15059320 | 0.91 | — | — | |
| SCHEMBL49313 | 0.91 | — | — | |
| SCHEMBL3440828 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CA2ALOX15CA4TDP1 | |
| SCHEMBL29573828 | 0.91 | — | — | |
| SCHEMBL27873626 | 0.89 | ALDH1A1 (0.47) | ALDH1A1CA2ALOX15CA4TDP1 | |
| Hydrochloric Acid SCHEMBL21820164 | 0.88 | — | — | |
| SCHEMBL28504670 | 0.88 | — | — | |
| SCHEMBL10560599 | 0.88 | — | — | |
| SCHEMBL31103367 | 0.88 | — | — | |
| SCHEMBL38651119 | 0.88 | — | — |
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 |