Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | AR | P10275 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TNKS | O95271 | 4/20 | 0.32 |
| ▸ | PARP1 | P09874 | 4/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.32 |
| ▸ | VDR | P11473 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1843380 | 0.81 | TSHR (0.46) | ESR1MEN1KMT2AHPGDHSD17B10 | |
| SCHEMBL7286991 | 0.79 | TSHR (0.44) | ESR1MEN1KMT2AHPGDHSD17B10 | |
| SCHEMBL7287002 | 0.79 | TSHR (0.44) | ESR1MEN1KMT2AHPGDHSD17B10 | |
| SCHEMBL12051657 | 0.78 | ESR1 (0.44) | ESR1MEN1KMT2AESR2AR | |
| SCHEMBL20994072 | 0.76 | PDE2A (0.43) | MEN1KMT2ATSHR | |
| SCHEMBL2643470 | 0.75 | MEN1 (0.39) | ESR1MEN1KMT2AESR2AR | |
| SCHEMBL9272585 | 0.74 | ESR1 (0.41) | ESR1MEN1KMT2ACHRNB2CHRNA4 | |
| SCHEMBL11701469 | 0.74 | ESR1 (0.71) | ESR1MEN1KMT2AESR2AR | |
| SCHEMBL7759392 | 0.74 | MEN1 (0.40) | MEN1KMT2ACHRNB2CHRNA4AR | |
| SCHEMBL29347982 | 0.74 | ESR1 (0.33) | ESR1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |