Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | SLCO1B3 | Q9NPD5 | 4/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | SLCO2B1 | O94956 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21722685 | 0.94 | XDH (0.44) | XDHALDH1A1KMT2AMAPTPOLB | |
| SCHEMBL21738194 | 0.93 | XDH (0.42) | XDHALDH1A1KMT2AMAPTPOLB | |
| SCHEMBL21722694 | 0.92 | XDH (0.48) | XDHALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL28653165 | 0.91 | XDH (0.57) | XDHALDH1A1KMT2AMAPTPOLB | |
| SCHEMBL21722700 | 0.87 | XDH (0.43) | XDHALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL21738182 | 0.84 | CYP2C9 (0.57) | XDHALDH1A1KMT2AMAPTPOLB | |
| SCHEMBL21722582 | 0.84 | XDH (0.50) | XDHALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL21722705 | 0.83 | CYP2C9 (0.35) | XDHALDH1A1KMT2AMAPTPOLB | |
| SCHEMBL21722585 | 0.83 | BACE1 (0.53) | ALDH1A1KMT2AMAPTPOLBMEN1 | |
| SCHEMBL21722583 | 0.83 | XDH (0.51) | XDHALDH1A1KMT2AMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-110294732-B | Pharmaceutical compound for treating liver diseases and application thereof | 江苏新元素医药科技有限公司 | 2021-10-26 | — | — | CN | disclosed |
| WO-2020035058-A1 | PHARMACEUTICAL COMPOUNDS FOR TREATING LIVER DISEASES AND APPLICATION THEREOF | 江苏新元素医药科技有限公司 | 2020-02-20 | — | — | WO | disclosed |