Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.56 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.50 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.48 |
| ▸ | HTR3B | O95264 | 2/20 | 0.48 |
| ▸ | HTR3A | P46098 | 2/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7653332 | 0.84 | ADRB1 (0.58) | ADRB1USP28P2RX7HTR3EHTR3B | |
| SCHEMBL6868721 | 0.84 | RAB9A (0.63) | HTTHTR6PARP1TNK1RAB9A | |
| SCHEMBL22625900 | 0.84 | PARP1 (0.43) | ADRB1USP28MAPK8MAPK9MAPK10 | |
| SCHEMBL4939443 | 0.84 | ADRB1 (0.61) | ADRB1USP28P2RX7HTR3EHTR3B | |
| SCHEMBL25093446 | 0.83 | PARP1 (0.48) | ADRB1MAPK8MAPK9MAPK10HTR3E | |
| SCHEMBL29960481 | 0.83 | PARP1 (0.48) | ADRB1MAPK8MAPK9MAPK10HTR3E | |
| SCHEMBL14080465 | 0.82 | ADRB1 (0.63) | ADRB1USP28P2RX7HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL29152389 | 0.82 | PARP1 (0.48) | ADRB1MAPK8MAPK9MAPK10HTR6 | |
| Hydrochloric Acid SCHEMBL15929282 | 0.81 | ADRB1 (0.61) | ADRB1USP28P2RX7HTR3EHTR3B | |
| SCHEMBL29115571 | 0.81 | ADRB1 (0.53) | ADRB1USP28MAPK8MAPK9MAPK10 |
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 |