Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.55 |
| ▸ | PCNA | P12004 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12959366 | 0.88 | ESR1 (0.53) | ESR1ESR2PCNATDP1GAA | |
| SCHEMBL24803332 | 0.86 | PARP1 (0.44) | ESR1ESR2PCNAPARP1TDP1 | |
| SCHEMBL9313893 | 0.85 | KDM4E (0.60) | ESR1PCNAPARP1TDP1GAA | |
| Hydrochloric Acid SCHEMBL28989826 | 0.84 | KDM4E (0.58) | ESR1PCNAPARP1TDP1GAA | |
| SCHEMBL28492275 | 0.81 | ESR1 (0.63) | ESR1ESR2TDP1GAATSHR | |
| SCHEMBL19180433 | 0.81 | SKP2 (0.46) | ESR1ESR2PCNAPARP1TDP1 | |
| SCHEMBL10175368 | 0.81 | PARP1 (0.43) | PCNAPARP1TDP1TSHRPOLB | |
| SCHEMBL4023960 | 0.79 | ESR1 (0.61) | ESR1ESR2TDP1GAATSHR | |
| SCHEMBL30523685 | 0.79 | HPGD (0.68) | ESR1ESR2TDP1GAATSHR | |
| SCHEMBL1362192 | 0.79 | HPGD (0.68) | ESR1ESR2TDP1GAATSHR |
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-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |