Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7780432 | 0.86 | ALDH1A1 (0.41) | ALDH1A1CYP3A4GAALMNATDP1 | |
| SCHEMBL7785127 | 0.86 | ALDH1A1 (0.41) | ALDH1A1CYP3A4GAALMNATDP1 | |
| SCHEMBL7780640 | 0.86 | ALDH1A1 (0.41) | ALDH1A1CYP3A4GAALMNATDP1 | |
| SCHEMBL7780398 | 0.82 | TDP1 (0.46) | ALDH1A1LMNAAKR1C3AKR1C2TDP1 | |
| SCHEMBL7787461 | 0.80 | TDP1 (0.55) | ALDH1A1CYP3A4GAALMNATDP1 | |
| SCHEMBL7789250 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP3A4GAALMNAAKR1C3 | |
| SCHEMBL7780717 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP3A4GAALMNAAKR1C3 | |
| SCHEMBL7780395 | 0.77 | MEN1 (0.42) | ALDH1A1KMT2ASLC6A9SLC6A5 | |
| Hydrochloric Acid SCHEMBL7785515 | 0.77 | CXCR2 (0.43) | ALDH1A1GAALMNAAKR1C3AKR1C2 | |
| SCHEMBL7784989 | 0.76 | ACP3 (0.45) | ALDH1A1CYP3A4AOC3GAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6329405-B1 | AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA | SANKYO COMPANY, LIMITED (JP) | 2001-12-11 | — | — | US | disclosed |
| EP-1070703-A1 | Cyclobutene derivatives | Sankyo Company Limited (JP) | 2001-01-24 | — | — | EP | disclosed |