Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24542984 | 1.00 | HTR2A (0.38) | HTR2AHTR2CHTR2BKDM4CCYP11B1 | |
| SCHEMBL17891729 | 0.81 | KDM4C (0.49) | KDM4C | |
| SCHEMBL7776691 | 0.72 | ESR1 (0.53) | ESR1ESR2DRD2 | |
| SCHEMBL28970181 | 0.72 | KDM4C (0.31) | KDM4CCYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL30062822 | 0.72 | KDM4C (0.31) | KDM4CCYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL28970231 | 0.72 | KDM4C (0.31) | KDM4CCYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL23976342 | 0.72 | KDM4C (0.31) | KDM4CCYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL24542991 | 0.72 | HTR2A (0.35) | HTR2AHTR2CHTR2B | |
| SCHEMBL29673109 | 0.72 | HTR2A (0.35) | HTR2AHTR2CHTR2B | |
| SCHEMBL9282806 | 0.71 | HTR2A (0.40) | HTR2AHTR2CHTR2BCYP11B1CYP11B2 |
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 |