Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.32 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.31 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | JMJD6 | Q6NYC1 | 2/20 | 0.30 |
| ▸ | TACR3 | P29371 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14863278 | 0.75 | HPGD (0.55) | HPGDGSK3BDYRK1APARP1KMT2A | |
| SCHEMBL106779 | 0.75 | TACR3 (0.52) | P2RX7TACR3 | |
| Hydrochloric Acid SCHEMBL2562382 | 0.74 | TACR3 (0.46) | PARP1MAP3K5PDCD1CD274HTR2A | |
| SCHEMBL928672 | 0.73 | P2RX7 (0.46) | P2RX7GSK3BDYRK1AKMT2AMAP3K5 | |
| Hydrochloric Acid SCHEMBL2565514 | 0.73 | TACR3 (0.51) | P2RX7TACR3 | |
| SCHEMBL706557 | 0.73 | HPGD (0.56) | HPGDGSK3BDYRK1AKMT2APDCD1 | |
| Hydrochloric Acid SCHEMBL2563541 | 0.73 | TACR3 (0.43) | HPGDGSK3BDYRK1APDCD1CD274 | |
| SCHEMBL14850840 | 0.72 | TACR3 (0.42) | P2RX7HPGDGSK3BDYRK1APARP1 | |
| SCHEMBL18601384 | 0.72 | TACR3 (0.48) | HPGDGSK3BDYRK1APARP1MAP3K5 | |
| SCHEMBL108722 | 0.72 | GSK3B (0.42) | P2RX7HPGDGSK3BDYRK1APRKD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |