Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.62 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1653533 | 1.00 | PTGS1 (0.62) | PTGS1PTGS2MT-CO2KMT2APSEN1 | |
| SCHEMBL1492817 | 1.00 | PTGS1 (0.62) | PTGS1PTGS2MT-CO2KMT2APSEN1 | |
| SCHEMBL4210524 | 0.84 | PTGS1 (0.45) | PTGS1PTGS2PSEN1PSEN2APH1B | |
| Toluene SCHEMBL27822993 | 0.84 | PTGS2 (0.59) | PTGS1PTGS2MT-CO2KMT2AHPGD | |
| SCHEMBL12707192 | 0.84 | KMT2A (0.48) | PTGS1PTGS2KMT2AACP3ALDH1A1 | |
| SCHEMBL27476524 | 0.83 | LMNA (0.46) | PTGS1PTGS2PSEN1PSEN2APH1B | |
| SCHEMBL9019965 | 0.82 | KMT2A (0.47) | PTGS1PTGS2KMT2AACP3MEN1 | |
| SCHEMBL9432428 | 0.82 | KMT2A (0.47) | PTGS1PTGS2KMT2AACP3MEN1 | |
| SCHEMBL1818192 | 0.82 | PTGS1 (0.62) | PTGS1PTGS2MT-CO2KMT2AHPGD | |
| SCHEMBL7806911 | 0.82 | PTGS1 (0.62) | PTGS1PTGS2MT-CO2KMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-112313234-B | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 百济神州有限公司 | 2022-04-29 | — | — | CN | disclosed |