Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.31 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL29179 | 0.97 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| SCHEMBL5838521 | 0.94 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| SCHEMBL3930010 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| SCHEMBL28050655 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| SCHEMBL2920316 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| SCHEMBL240779 | 0.94 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| Hydrochloric Acid SCHEMBL9322645 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| SCHEMBL689027 | 0.94 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| SCHEMBL7164452 | 0.94 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 | |
| SCHEMBL28797563 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2KCNA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117500799-A | Substituted fused azines as KRAS G12D inhibitors | 伊莱利利公司 | 2024-02-02 | — | — | CN | disclosed |
| EP-1047455-A1 | PARA-HYDROGEN LABELLED AGENTS AND THEIR USE IN MAGNETIC RESONANCE IMAGING | NYCOMED IMAGING AS (NO) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999024080-A1 | PARA-HYDROGEN LABELLED AGENTS AND THEIR USE IN MAGNETIC RESONANCE IMAGING | NYCOMED IMAGING AS (NO) | 1999-05-20 | — | — | WO | disclosed |