Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 7/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 7/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.35 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.35 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.34 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzamide SCHEMBL6784039 | 0.80 | CYP3A4 (0.57) | CHEK2MKNK1MKNK2CYP17A1F7 | |
| SCHEMBL104764 | 0.79 | PARP10 (0.50) | PARP15PARP10ALDH1A1KMT2APARP14 | |
| Niacinamide SCHEMBL28227018 | 0.73 | F7 (0.71) | MKNK1MKNK2F7F3SARM1 | |
| Hydrochlorthiazide SCHEMBL352730 | 0.73 | — | — | |
| Hydrochlorthiazide SCHEMBL29013764 | 0.71 | KDM4E (0.44) | F7F3SARM1SIRT2SIRT6 | |
| Hydrochlorthiazide SCHEMBL677154 | 0.71 | — | — | |
| Terephthalamide SCHEMBL29109497 | 0.70 | PARP1 (0.62) | MKNK1MKNK2PARP15PARP10ALDH1A1 | |
| Hydrochlorthiazide SCHEMBL28250666 | 0.69 | — | — | |
| Hydrochlorthiazide SCHEMBL29079282 | 0.69 | — | — | |
| Hydrochlorthiazide SCHEMBL2496915 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106243113-B | The Imidazopyrazine of selection as BTK inhibitor | 默沙东有限责任公司 | 2018-12-18 | — | — | CN | disclosed |