Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5846906 | 0.82 | MPO (0.46) | L3MBTL1TDP1KDM4EMAPTGAA | |
| SCHEMBL5230608 | 0.78 | L3MBTL1 (0.49) | L3MBTL1TDP1SLC6A3ALDH1A1KDM4E | |
| SCHEMBL9127775 | 0.77 | L3MBTL1 (0.37) | L3MBTL1TDP1PARP1PARP10KDM4E | |
| SCHEMBL2675846 | 0.77 | TDP1 (0.39) | L3MBTL1TDP1PARP1PARP10SRD5A1 | |
| SCHEMBL14355553 | 0.73 | MPO (0.56) | L3MBTL1TDP1ALDH1A1KDM4EMAPT | |
| SCHEMBL30940179 | 0.73 | MPO (0.56) | L3MBTL1TDP1ALDH1A1KDM4EMAPT | |
| SCHEMBL9448045 | 0.73 | SRD5A1 (0.44) | HSD17B3NR4A2SLC6A3ALDH1A1SRD5A1 | |
| SCHEMBL6648373 | 0.73 | L3MBTL1 (0.42) | L3MBTL1TDP1PARP1PARP10HSD17B3 | |
| SCHEMBL12271941 | 0.73 | KDM4E (0.38) | NR4A2SLC6A3ALDH1A1KDM4EMAPT | |
| Acetic Acid SCHEMBL9127778 | 0.73 | TDP1 (0.41) | L3MBTL1TDP1PARP1PARP10HSD17B3 |
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-2017128896-A1 | FXR AGONIST AND PREPARATION METHOD AND USE THEREOF | 江苏豪森药业集团有限公司 | 2017-08-03 | — | — | WO | disclosed |