Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | ANO1 | Q5XXA6 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24543427 | 1.00 | ADRB2 (0.47) | ADRB2ADRB1HTR1AADRB3TSHR | |
| SCHEMBL1508672 | 0.90 | ABCB1 (0.43) | ADRB2ADRB1HTR1AADRB3TSHR | |
| SCHEMBL15319609 | 0.80 | MRGPRX4 (0.53) | ADRB2ADRB1HTR1AADRB3TSHR | |
| SCHEMBL2729107 | 0.79 | MRGPRX4 (0.46) | ADRB2ADRB1HTR1AADRB3TSHR | |
| SCHEMBL8827446 | 0.79 | ADRB2 (0.42) | ADRB2ADRB1HTR1AADRB3TSHR | |
| SCHEMBL264705 | 0.78 | BRD4 (0.54) | ADRB2ADRB1HTR1AADRB3TSHR | |
| SCHEMBL29802310 | 0.78 | BRD4 (0.54) | ADRB2ADRB1HTR1AADRB3TSHR | |
| SCHEMBL5692114 | 0.76 | RXRB (0.42) | MRGPRX4ANO1 | |
| SCHEMBL9489544 | 0.75 | MRGPRX4 (0.45) | ADRB2ADRB1HTR1AADRB3TSHR | |
| SCHEMBL1508383 | 0.75 | CYP2A6 (0.44) | ADRB2ADRB1HTR1AADRB3TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022127827-A1 | KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-23 | — | — | WO | disclosed |
| CN-114644631-A | KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-06-21 | — | — | CN | disclosed |