Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.54 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.54 |
| ▸ | CDC25B | P30305 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL29121130 | 0.89 | TSHR (0.68) | TSHRCDC25BALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL420 | 0.85 | CES2 (0.49) | TSHRALDH1A1L3MBTL1NPSR1CYP1A2 | |
| SCHEMBL4463486 | 0.84 | TSHR (0.70) | TSHRCDC25BALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL29619268 | 0.84 | TSHR (0.75) | TSHRCDC25BALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL195278 | 0.84 | TSHR (0.75) | TSHRCDC25BALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL9541280 | 0.84 | CES2 (0.62) | TSHRCDC25BALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL4733061 | 0.83 | TSHR (0.68) | TSHRCDC25BALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL9356956 | 0.82 | TSHR (0.66) | TSHRCDC25BALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL10429982 | 0.81 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4 | |
| SCHEMBL245250 | 0.81 | CA1 (0.63) | TSHRCYP4F2CYP4A11ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |