Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.68 |
| ▸ | PARP10 | Q53GL7 | 8/20 | 0.68 |
| ▸ | PARP11 | Q9NR21 | 5/20 | 0.68 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.68 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | CA5A | P35218 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.59 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.55 |
| ▸ | TUBB | P07437 | 1/20 | 0.55 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.55 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.55 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL67710 | 0.82 | PARP10 (1.00) | PARP1PARP10PARP11PDPK1CA12 | |
| SCHEMBL29369705 | 0.82 | PARP10 (1.00) | PARP1PARP10PARP11PDPK1CA12 | |
| Hydrochloric Acid SCHEMBL29896921 | 0.81 | PARP10 (0.96) | PARP1PARP10PARP11PDPK1CA12 | |
| Hydrochloric Acid SCHEMBL10647408 | 0.81 | PARP10 (0.96) | PARP1PARP10PARP11PDPK1CA12 | |
| Piperazine SCHEMBL28321362 | 0.77 | PARP10 (0.89) | PARP1PARP10PARP11PDPK1CA12 | |
| Hydrochloric Acid SCHEMBL28247698 | 0.77 | CA12 (0.91) | CA12CA9CA1CA3CA4 | |
| Hydrochloric Acid SCHEMBL38659604 | 0.77 | CA12 (0.91) | CA12CA9CA1CA3CA4 | |
| SCHEMBL29351086 | 0.77 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| SCHEMBL8621 | 0.77 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| SCHEMBL5437282 | 0.77 | CA12 (1.00) | CA12CA9CA1CA3CA4 |
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-114108013-B | Electrochemical synthesis method of trifluoromethyl substituted polycyclic quinazolinone derivative | 江苏信和生物医药有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-114108013-A | Electrochemical synthesis method of trifluoromethyl substituted polycyclic quinazolinone derivative | 江苏信和生物医药有限公司 | 2022-03-01 | — | — | CN | disclosed |