Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | SUCNR1 | Q9BXA5 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 6/20 | 0.35 |
| ▸ | CENPE | Q02224 | 1/20 | 0.35 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866704 | 0.92 | SLC7A5 (0.36) | ALDH1A2ALDH1A1ALDH1A3SUCNR1CYP3A4 | |
| SCHEMBL8866555 | 0.85 | SLC7A5 (0.38) | ALDH1A2ALDH1A1ALDH1A3SUCNR1TTK | |
| SCHEMBL8866641 | 0.82 | CYP3A4 (0.47) | ALDH1A2ALDH1A1ALDH1A3SUCNR1CYP3A4 | |
| SCHEMBL9235965 | 0.78 | ACACB (0.37) | ALDH1A2ALDH1A1ALDH1A3SUCNR1TTK | |
| SCHEMBL8866926 | 0.76 | CYP3A4 (0.47) | ALDH1A2ALDH1A1ALDH1A3SUCNR1CYP3A4 | |
| SCHEMBL8866712 | 0.75 | CYP3A4 (0.46) | CYP3A4GBA1BRD4SUV39H2 | |
| SCHEMBL8866170 | 0.74 | ALDH1A1 (0.41) | ALDH1A2ALDH1A1ALDH1A3ADORA2AADORA1 | |
| SCHEMBL8865697 | 0.74 | TTK (0.39) | SUCNR1CYP3A4GBA1TTKBRD4 | |
| SCHEMBL8866355 | 0.72 | ALDH1A1 (0.52) | ALDH1A2ALDH1A1ALDH1A3 | |
| SCHEMBL8865866 | 0.70 | CYP3A4 (0.46) | SUCNR1CYP3A4GBA1BRD4SUV39H2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |