Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TYR | P14679 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL10713325 | 0.83 | LTB4R (0.39) | ESR1ESR2MAOBMEN1KMT2A | |
| SCHEMBL10716084 | 0.78 | LTB4R (0.35) | ESR1ESR2MAOBMEN1KMT2A | |
| SCHEMBL23876999 | 0.73 | ESR2 (0.50) | ESR1ESR2TTRMEN1KMT2A | |
| SCHEMBL18672423 | 0.73 | ESR1 (0.53) | ESR1ESR2CYP3A4ALDH1A1TP53 | |
| SCHEMBL10578964 | 0.70 | METAP2 (0.44) | MEN1KMT2ACYP3A4ALDH1A1TSHR | |
| SCHEMBL19413482 | 0.70 | ESR1 (0.53) | ESR1ESR2CYP3A4ALDH1A1TP53 | |
| SCHEMBL11036500 | 0.69 | TYR (0.45) | ESR1MEN1KMT2ACYP3A4ALDH1A1 | |
| SCHEMBL21730578 | 0.69 | TLR8 (0.36) | ALDH1A1TP53SMN1; SMN2MAPTRECQL | |
| SCHEMBL19492509 | 0.68 | KCNH2 (0.41) | MEN1KMT2AALDH1A1MAPTHTT | |
| SCHEMBL18868804 | 0.68 | KCNH2 (0.41) | MEN1KMT2AALDH1A1MAPTHTT |
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-116514834-A | Chiral alpha-CF 2 H spiro [ pyrrolidine-pyrazolones]Synthesis method of class compound | 深圳市图微安创科技开发有限公司 | 2023-08-01 | — | — | CN | claimed |