Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 5/20 | 0.43 |
| ▸ | HTR2C | P28335 | 5/20 | 0.43 |
| ▸ | HTR2B | P41595 | 5/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29673185 | 1.00 | KDM4C (0.46) | KDM4CHTR2AHTR2CHTR2BADRB1 | |
| SCHEMBL28766634 | 0.88 | KDM4C (0.46) | KDM4CHTR2AHTR2CHTR2BESR1 | |
| SCHEMBL13229181 | 0.82 | ACHE (0.38) | MEN1KMT2AACHE | |
| Hydrochloric Acid SCHEMBL30299242 | 0.81 | HTR2A (0.46) | KDM4CHTR2AHTR2CHTR2BADRB1 | |
| SCHEMBL15818869 | 0.80 | HTR2A (0.47) | KDM4CHTR2AHTR2CHTR2BADRB1 | |
| SCHEMBL5467690 | 0.78 | IDO1 (0.47) | KDM4C | |
| SCHEMBL24542989 | 0.76 | HTR2C (0.41) | KDM4CHTR2AHTR2CHTR2BADRB1 | |
| SCHEMBL29673081 | 0.76 | HTR2C (0.41) | KDM4CHTR2AHTR2CHTR2BADRB1 | |
| Hydrochloric Acid SCHEMBL1066112 | 0.74 | ACHE (0.48) | KDM4CHTR2AHTR2CHTR2BADRB1 | |
| Hydrochloric Acid SCHEMBL1002239 | 0.74 | ACHE (0.48) | KDM4CHTR2AHTR2CHTR2BADRB1 |
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 |