Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TTK | P33981 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866926 | 0.93 | CYP3A4 (0.47) | CYP3A4ALDH1A1ALDH1A2ALDH1A3GBA1 | |
| SCHEMBL8866712 | 0.92 | CYP3A4 (0.46) | CYP3A4GBA1CA1CA2ADORA3 | |
| SCHEMBL8866371 | 0.89 | ALDH1A1 (0.51) | ALDH1A1ALDH1A2ALDH1A3TTKSUV39H2 | |
| SCHEMBL8865866 | 0.87 | CYP3A4 (0.46) | CYP3A4GBA1CA1CA2ADORA3 | |
| SCHEMBL8866560 | 0.85 | KDM4E (0.41) | CYP3A4ALDH1A1ALDH1A2ALDH1A3ADORA3 | |
| SCHEMBL8866649 | 0.85 | ALDH1A1 (0.41) | CYP3A4ALDH1A1ALDH1A2ALDH1A3KDM4E | |
| SCHEMBL8866635 | 0.82 | ALDH1A2 (0.42) | CYP3A4ALDH1A1ALDH1A2ALDH1A3GBA1 | |
| SCHEMBL8866095 | 0.80 | KDM4E (0.41) | CYP3A4ALDH1A1ALDH1A2ALDH1A3TTK | |
| SCHEMBL8866523 | 0.80 | RAB9A (0.43) | ALDH1A1ALDH1A2ALDH1A3BRD4HDAC6 | |
| SCHEMBL8866939 | 0.78 | ALDH1A1 (0.40) | ALDH1A1ALDH1A2ALDH1A3KDM4ENPC1 |
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 |