Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RRM2 | P31350 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12450083 | 0.80 | CYP2C19 (0.41) | HRH3CHEK1CA1CA2GAA | |
| SCHEMBL14283237 | 0.77 | CA12 (0.38) | MAPTTRPV1CA1CA2CYP2C9 | |
| SCHEMBL20037762 | 0.77 | MAPT (0.43) | MAPTCYP2C9SLC22A12GAATAAR1 | |
| SCHEMBL31279086 | 0.76 | CA2 (0.47) | MAPTTRPV1CA1CA2CYP2C9 | |
| SCHEMBL19251951 | 0.76 | CA2 (0.47) | MAPTTRPV1CA1CA2CYP2C9 | |
| SCHEMBL20249423 | 0.75 | CA12 (0.41) | MAPTTRPV1CA1CA2GAA | |
| SCHEMBL20929322 | 0.75 | MAPT (0.42) | MAPTHRH3GAATAAR1KDM4E | |
| SCHEMBL20249278 | 0.74 | CA1 (0.40) | MAPTTRPV1CA1CA2GAA | |
| SCHEMBL20037649 | 0.72 | MAPT (0.35) | MAPTCHEK1GAATAAR1RRM2 | |
| SCHEMBL18650612 | 0.72 | MAPT (0.39) | MAPTALDH1A1MEN1RAB9AKMT2A |
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-2021254389-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2021-12-23 | — | — | WO | disclosed |