Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL16211997 | 0.88 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL27961324 | 0.77 | ALDH1A1 (0.32) | ALDH1A1TSHRTDP1 | |
| SCHEMBL4367412 | 0.71 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL27469137 | 0.70 | TDP1 (0.34) | TDP1 | |
| SCHEMBL3844719 | 0.68 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL34473961 | 0.65 | POLB (0.40) | ALDH1A1TSHR | |
| SCHEMBL22405796 | 0.65 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL27909742 | 0.65 | KCNN4 (0.46) | ALDH1A1TSHRTDP1 | |
| SCHEMBL24112327 | 0.65 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL4369849 | 0.65 | ALDH1A1 (0.35) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209466-A | Purine derivatives as cb2 receptor agonists | HOFFMANN LA ROCHE | 2015-12-30 | — | — | CN | disclosed |