Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.53 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.53 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.53 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2792876 | 1.00 | TSHR (0.53) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL16174996 | 0.89 | TSHR (0.60) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL3325206 | 0.87 | ALDH1A1 (0.52) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL31346023 | 0.82 | TDP1 (0.53) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL5872583 | 0.77 | ALDH1A1 (0.72) | TSHRALDH1A1TDP1HPGDHIF1A | |
| SCHEMBL23302367 | 0.77 | ALDH1A1 (0.48) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL29896834 | 0.77 | ALDH1A1 (0.48) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL31495114 | 0.77 | TDP1 (0.47) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL29805021 | 0.75 | CYP3A4 (0.68) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL1531127 | 0.75 | CYP3A4 (0.68) | TSHRALDH1A1CYP3A4TDP1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025049746-A1 | COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME | EIKON THERAPEUTICS, INC. (US) | 2025-03-06 | — | — | WO | disclosed |
| CN-119424423-A | 4-Aminobut-2-enamide derivatives and salts thereof | 大鹏药品工业株式会社 | 2025-02-14 | — | — | CN | disclosed |
| EP-4329750-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | Merck Sharp & Dohme LLC (US) | 2024-03-06 | — | — | EP | disclosed |
| CN-115551500-A | 4-aminobut-2-enamide derivatives and salts thereof | 大鹏药品工业株式会社 | 2022-12-30 | — | — | CN | disclosed |
| WO-2022232320-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-11-03 | — | — | WO | disclosed |