Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | UBE2N | P61088 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | EIF4EBP1 | Q13541 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7753836 | 0.90 | KCNH2 (0.46) | TSHRGAAL3MBTL1ATMCYP1A2 | |
| SCHEMBL5807356 | 0.85 | TSHR (0.48) | TSHRUBE2NGAAL3MBTL1ATM | |
| SCHEMBL6555846 | 0.83 | PPARA (0.60) | TSHRUBE2NGAAL3MBTL1CYP1A2 | |
| SCHEMBL6555630 | 0.82 | PPARG (0.69) | PPARGPPARDPPARA | |
| SCHEMBL8158054 | 0.80 | PKM (0.53) | TSHRMEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL6555852 | 0.80 | UBE2N (0.48) | TSHRUBE2NGAACYP1A2CYP2C9 | |
| SCHEMBL5935688 | 0.80 | GFER (0.49) | TSHRUBE2NGAAL3MBTL1ATM | |
| SCHEMBL8155325 | 0.80 | PKM (0.53) | TSHRMEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL6556047 | 0.79 | PPARG (0.52) | TSHRUBE2NGAAL3MBTL1ATM | |
| SCHEMBL5804253 | 0.78 | UBE2N (0.49) | TSHRUBE2NGAACYP1A2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1073643-A2 | NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999008501-A2 | NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 1999-02-25 | — | — | WO | disclosed |