Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 3/20 | 0.39 |
| ▸ | FABP4 | P15090 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28031957 | 0.82 | CTSD (0.44) | BACE1TRPA1GPR84ABL1ESR1 | |
| SCHEMBL25799088 | 0.79 | BACE1 (0.53) | BACE1TRPA1TNKS2ABL1CYP2A6 | |
| SCHEMBL28031963 | 0.72 | CA2 (0.47) | ESR1ESR2ALDH1A1HSD17B10 | |
| SCHEMBL28151739 | 0.72 | ENPP3 (0.43) | CYP1A2ALDH1A1CYP3A4MAPK1CLK4 | |
| SCHEMBL28822331 | 0.72 | DYRK1A (0.41) | CYP2A6 | |
| SCHEMBL31358639 | 0.72 | BACE1 (0.46) | BACE1TRPA1GPR84TNKS2ABL1 | |
| SCHEMBL17414736 | 0.71 | BACE1 (0.59) | BACE1TRPA1ABL1CYP2A6ESR1 | |
| SCHEMBL29800497 | 0.71 | CYP1B1 (0.50) | BACE1TRPA1TNKS2ABL1CYP2A6 | |
| SCHEMBL28826635 | 0.71 | CYP1B1 (0.50) | BACE1TRPA1TNKS2ABL1CYP2A6 | |
| SCHEMBL28143837 | 0.71 | MAOA (0.47) | CYP2A6CYP1A2LMNATSHR |
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-105061372-A | Synthetic methods of naphthopyran compounds | UNIV HUNAN | 2015-11-18 | — | — | CN | disclosed |