Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 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 | |
|---|---|---|---|---|
| SCHEMBL28779468 | 0.84 | NPC1 (0.41) | CYP2A6NPC1RAB9A | |
| SCHEMBL28779463 | 0.80 | CA1 (0.34) | GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26021643 | 0.78 | PLA2G7 (0.38) | CYP2A6HSD11B1NPC1RAB9A | |
| SCHEMBL28779470 | 0.76 | ALDH1A1 (0.33) | CYP2A6NPC1 | |
| SCHEMBL28779497 | 0.75 | CYP2A6 (0.38) | CYP2A6 | |
| SCHEMBL28779489 | 0.74 | ALDH1A1 (0.35) | CYP2A6NPC1 | |
| SCHEMBL30727467 | 0.74 | CYP2A6 (0.47) | CYP2A6CYP3A4NPC1LMNARAB9A | |
| SCHEMBL28383070 | 0.74 | CYP2A6 (0.47) | CYP2A6CYP3A4NPC1LMNARAB9A | |
| SCHEMBL17523404 | 0.72 | PTGS2 (0.43) | CYP2A6NPC1RAB9A | |
| SCHEMBL17351675 | 0.72 | PTGS2 (0.43) | CYP2A6NPC1RAB9A |
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-114591290-A | Preparation method of substituted benzo [ B ] naphthalene benzene [2, 3-D ] thiophene derivative and derivative | 陕西维世诺新材料有限公司 | 2022-06-07 | — | — | CN | disclosed |