Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8965707 | 0.76 | POLB (0.46) | POLBGPR55ALDH1A1MAPTATM | |
| SCHEMBL13886742 | 0.72 | POLB (0.53) | POLBGPR55ALDH1A1MAPTATM | |
| SCHEMBL7213737 | 0.69 | POLB (0.55) | POLBGPR55ALDH1A1MAPTATM | |
| SCHEMBL1357466 | 0.69 | POLB (0.46) | POLBGPR55ALDH1A1MAPTATM | |
| SCHEMBL2600474 | 0.68 | TP53 (0.34) | MAPT | |
| SCHEMBL74883 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL5524421 | 0.66 | POLB (0.47) | POLBGPR55ALDH1A1MAPTATM | |
| SCHEMBL10605084 | 0.65 | POLB (0.43) | POLBGPR55ALDH1A1MAPTATM | |
| SCHEMBL28654600 | 0.64 | — | — | |
| SCHEMBL28226422 | 0.64 | — | — |
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-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |