Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11685893 | 0.88 | ALDH1A1 (0.37) | ALDH1A1TSHRCYP3A4TP53TDP1 | |
| SCHEMBL1182463 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4TP53TDP1 | |
| SCHEMBL8268100 | 0.82 | TTR (0.34) | ALDH1A1TSHRTTRALBCYP2A6 | |
| SCHEMBL30464787 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4TP53TDP1 | |
| SCHEMBL987538 | 0.78 | MEN1 (0.45) | TTRALBMAPTHTT | |
| SCHEMBL2339085 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP3A4TP53TDP1 | |
| SCHEMBL3709690 | 0.77 | KDM4E (0.32) | KDM4EEGLN2 | |
| SCHEMBL28091089 | 0.74 | KDM4E (0.42) | ALDH1A1TSHRCYP3A4TP53TDP1 | |
| SCHEMBL23235784 | 0.73 | CYP2A6 (0.43) | ALDH1A1TSHRCYP2A6EGLN2 | |
| SCHEMBL3704740 | 0.73 | TTR (0.48) | ALDH1A1TSHRCYP3A4TP53TDP1 |
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-2010093191-A2 | NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2010-08-19 | — | — | WO | disclosed |