Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 2/20 | 0.31 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL28835620 | 0.83 | KDM1A (0.35) | CES2CES1CYP1A2IDO1 | |
| SCHEMBL3709776 | 0.83 | PARP1 (0.36) | PARP1CES2CES1VCPADRB1 | |
| SCHEMBL1759520 | 0.80 | CES2 (0.50) | CES2CES1ADRB1ADRA2AADRB3 | |
| SCHEMBL2850794 | 0.79 | UGT2B7 (0.44) | PARP1CES2CES1ADRB1ADRA2A | |
| SCHEMBL16957667 | 0.79 | PARP1 (0.40) | PARP1VCPCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19028362 | 0.79 | UGT2B7 (0.44) | PARP1CES2CES1ADRB1ADRA2A | |
| SCHEMBL8220975 | 0.79 | UGT2B7 (0.44) | PARP1CES2CES1ADRB1ADRA2A | |
| SCHEMBL16956476 | 0.79 | ADRB2 (0.36) | PARP1VCPADRB1ADRA2AADRB3 | |
| SCHEMBL16960030 | 0.78 | VCP (0.35) | PARP1VCPKDM4EDPP4 | |
| SCHEMBL30362089 | 0.78 | PARP1 (0.34) | PARP1CES2CES1VCPADRB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672973-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS Innopharm (Shanghai) Ltd. (CN) | 2020-07-01 | — | — | EP | claimed |
| WO-2019037640-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2019-02-28 | — | — | WO | claimed |
| EP-3672973-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS Innopharm (Shanghai) Ltd. (CN) | 2020-07-01 | — | — | EP | disclosed |
| WO-2019037640-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2019-02-28 | — | — | WO | disclosed |