Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5254246 | 0.98 | PTGS1 (0.45) | PTGS1PTGS2SLC6A3MT-CO2CES2 | |
| SCHEMBL27280937 | 0.88 | PTGS1 (0.41) | PTGS1PTGS2SLC6A3MT-CO2CES2 | |
| SCHEMBL31625822 | 0.88 | PTGS1 (0.41) | PTGS1PTGS2SLC6A3MT-CO2CES2 | |
| SCHEMBL14420202 | 0.85 | PTGS1 (0.39) | PTGS1PTGS2SLC6A3MT-CO2HPGD | |
| SCHEMBL15290689 | 0.82 | PTGS1 (0.60) | PTGS1PTGS2MT-CO2CES2CES1 | |
| SCHEMBL30832115 | 0.82 | PTGS1 (0.60) | PTGS1PTGS2MT-CO2CES2CES1 | |
| SCHEMBL2124984 | 0.81 | MT-CO2 (0.44) | PTGS1PTGS2MT-CO2HPGDMAOB | |
| SCHEMBL17086711 | 0.80 | HPGD (0.50) | PTGS1PTGS2MT-CO2HPGDKMT2A | |
| SCHEMBL14864467 | 0.80 | HPGD (0.50) | PTGS1PTGS2MT-CO2HPGDKMT2A | |
| SCHEMBL4411007 | 0.80 | CES2 (0.55) | SLC6A3CES2CES1KMT2ATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023141852-A1 | CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF | 益方生物科技(上海)股份有限公司 | 2023-08-03 | — | — | WO | disclosed |