Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8159554 | 0.84 | HTT (0.38) | TSHRALDH1A1L3MBTL1MAPK1TDP1 | |
| SCHEMBL8158807 | 0.83 | ALDH1A1 (0.38) | TSHRALDH1A1AKR1C3L3MBTL1MAPK1 | |
| SCHEMBL8154299 | 0.82 | ALOX5 (0.41) | TSHRALDH1A1AKR1C3L3MBTL1MAPK1 | |
| SCHEMBL8145530 | 0.81 | TSHR (0.42) | TSHRALDH1A1L3MBTL1MAPK1TDP1 | |
| SCHEMBL8162733 | 0.81 | ALDH1A1 (0.41) | TSHRALDH1A1AKR1C3MEN1KMT2A | |
| SCHEMBL8152762 | 0.80 | TSHR (0.43) | TSHRALDH1A1L3MBTL1MAPK1TDP1 | |
| SCHEMBL8153179 | 0.77 | ABCB1 (0.42) | TSHRL3MBTL1MEN1MAPTKMT2A | |
| SCHEMBL8159015 | 0.77 | KMT2A (0.39) | TSHRALDH1A1AKR1C3L3MBTL1MAPK1 | |
| SCHEMBL8160025 | 0.76 | AKR1C3 (0.37) | TSHRALDH1A1AKR1C3L3MBTL1MAPK1 | |
| SCHEMBL8159064 | 0.75 | PTGES (0.39) | TSHRALDH1A1AKR1C3L3MBTL1MAPK1 |
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-0996432-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUMINSTITUT (DK) | 2000-05-03 | — | — | EP | claimed |
| WO-1999000114-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUM INSTITUT (DK) | 1999-01-07 | — | — | WO | claimed |