Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CFD | P00746 | 1/20 | 0.38 |
| ▸ | F11 | P03951 | 1/20 | 0.38 |
| ▸ | TPSB2 | P20231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7887272 | 1.00 | TAAR1 (0.43) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL29342899 | 1.00 | TAAR1 (0.43) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL28224404 | 0.85 | TP53 (0.42) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL24324366 | 0.84 | TAAR1 (0.41) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL28856242 | 0.83 | PNMT (0.47) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL598569 | 0.83 | CYP1A2 (0.45) | SLC6A2SLC6A4SLC6A3SIGMAR1CYP2A6 | |
| SCHEMBL31190190 | 0.83 | CYP1A2 (0.45) | SLC6A2SLC6A4SLC6A3SIGMAR1CYP2A6 | |
| SCHEMBL11873206 | 0.83 | PTGS2 (0.45) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL28716332 | 0.82 | ADRB2 (0.36) | TAAR1SLC6A2PTGS2TP53 | |
| SCHEMBL209048 | 0.82 | PRSS1 (0.44) | TAAR1SLC6A2SLC6A4SLC6A3MAOA |
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-2023121413-A1 | NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF | 제일약품주식회사 | 2023-06-29 | — | — | WO | disclosed |