Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.45 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29115424 | 1.00 | HRH4 (0.52) | HRH4ADRB2NCF1PLD1TP53BP1 | |
| Hydrochloric Acid SCHEMBL900436 | 0.99 | HRH4 (0.51) | HRH4ADRB2NCF1PLD1TP53BP1 | |
| SCHEMBL10681265 | 0.86 | HRH4 (0.52) | HRH4ADRB2NCF1PLD1TP53BP1 | |
| SCHEMBL18135099 | 0.86 | NFKB1 (0.51) | HRH4TP53BP1USP30CTSAMAPT | |
| SCHEMBL11355924 | 0.83 | HRH4 (0.52) | HRH4ADRB2NCF1PLD1TP53BP1 | |
| SCHEMBL18135106 | 0.83 | CTSA (0.56) | TP53BP1HDAC3HDAC1HDAC2CTSA | |
| SCHEMBL31704842 | 0.83 | HRH4 (0.52) | HRH4ADRB2NCF1PLD1TP53BP1 | |
| SCHEMBL27691156 | 0.82 | HRH4 (0.50) | HRH4ADRB2NCF1PLD1ACVR1 | |
| SCHEMBL2563476 | 0.79 | USP30 (0.43) | HRH4TP53BP1USP30CTSAHTR1A | |
| SCHEMBL22912811 | 0.79 | HDAC2 (0.55) | HDAC3KCNH2HDAC1HDAC2MAPK8 |
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-116710433-A | Selective PARP1 inhibitor and application thereof | 成都百裕制药股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2022222966-A1 | SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |