Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 10/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.43 |
| ▸ | RXRA | P19793 | 10/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29408101 | 1.00 | NOTUM (0.51) | NOTUMGRIN1GRIN2BRXRAKCNN4 | |
| SCHEMBL28685562 | 1.00 | NOTUM (0.51) | NOTUMGRIN1GRIN2BRXRAKCNN4 | |
| SCHEMBL28685629 | 0.85 | NOTUM (0.58) | NOTUMGRIN1GRIN2BRXRAGAA | |
| SCHEMBL29408092 | 0.85 | NOTUM (0.58) | NOTUMGRIN1GRIN2BRXRAGAA | |
| SCHEMBL28697962 | 0.81 | KCNN4 (0.36) | GRIN1GRIN2BRXRAKCNN4MET | |
| SCHEMBL29408072 | 0.81 | KCNN4 (0.36) | GRIN1GRIN2BRXRAKCNN4MET | |
| SCHEMBL29408091 | 0.81 | TP53 (0.57) | METTP53MAPTPTGS2ALDH1A1 | |
| SCHEMBL28697971 | 0.81 | TP53 (0.57) | METTP53MAPTPTGS2ALDH1A1 | |
| SCHEMBL19232450 | 0.74 | GRIN1 (0.64) | NOTUMGRIN1GRIN2BRXRA | |
| SCHEMBL22684398 | 0.74 | NOTUM (0.63) | NOTUMGRIN1GRIN2BRXRACYP1A2 |
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-114127066-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 爱杜西亚药品有限公司 | 2022-03-01 | — | — | CN | disclosed |