Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 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 | |
|---|---|---|---|---|
| SCHEMBL28038241 | 0.87 | GABRA1 (0.44) | TP53TSHRALDH1A1GABRA1GABRB2 | |
| SCHEMBL16245778 | 0.82 | TP53 (0.41) | TP53TSHRALDH1A1GABRA1GABRB2 | |
| SCHEMBL28038231 | 0.81 | BACE1 (0.33) | BACE1F2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL28037918 | 0.81 | GABRA1 (0.44) | TP53TSHRALDH1A1GABRA1GABRB2 | |
| SCHEMBL28038236 | 0.78 | BACE1 (0.33) | BACE1F2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL27557559 | 0.76 | TP53 (0.41) | TP53TSHR | |
| SCHEMBL28037909 | 0.76 | TYR (0.37) | TP53TSHRALDH1A1 | |
| SCHEMBL16245656 | 0.74 | GRIN2D (0.42) | TP53TSHRGABRA1GABRB2GRIN2D | |
| SCHEMBL16335024 | 0.74 | TP53 (0.44) | TP53TSHRALDH1A1GRIN2DGRIN2A | |
| SCHEMBL28037910 | 0.74 | TP53 (0.55) | TP53TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105189432-A | Improvements in or relating to organic compounds | GIVAUDAN SA | 2015-12-23 | — | — | CN | claimed |
| CN-105189432-A | Improvements in or relating to organic compounds | GIVAUDAN SA | 2015-12-23 | — | — | CN | disclosed |