Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BPTF | Q12830 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | KHK | P50053 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL22721031 | 0.89 | SIGMAR1 (0.43) | BPTFCHRNB2CHRNA4CHRNA7 | |
| SCHEMBL22728537 | 0.88 | BPTF (0.47) | BPTFSLC6A2SLC6A4SLC6A3CHRNB2 | |
| SCHEMBL22728519 | 0.85 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL22728574 | 0.82 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL22720937 | 0.81 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Maleic Acid SCHEMBL22721144 | 0.78 | BPTF (0.41) | BPTFSLC6A2SLC6A4SLC6A3CHRNB2 | |
| SCHEMBL6605571 | 0.76 | HTR3E (0.56) | SLC6A4CYP2D6HTR1A | |
| SCHEMBL22721153 | 0.76 | HTR2C (0.53) | KCNH2CHRNB2CHRNA4CHRNA7CYP17A1 | |
| SCHEMBL22728605 | 0.75 | BPTF (0.44) | BPTFCHRNB2CHRNA4CHRNA7KHK | |
| SCHEMBL29732528 | 0.75 | BPTF (0.44) | BPTFCHRNB2CHRNA4CHRNA7KHK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020239073-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-03 | — | — | WO | disclosed |