Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 17/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23521650 | 1.00 | SLC6A2 (0.50) | SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23521649 | 1.00 | SLC6A2 (0.50) | SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23761083 | 1.00 | SLC6A2 (0.50) | SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21722765 | 0.87 | SLC6A4 (0.67) | SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21722763 | 0.87 | SLC6A4 (0.67) | SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL5869172 | 0.86 | SLC6A4 (0.65) | SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL5869175 | 0.86 | SLC6A4 (0.65) | SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL5869484 | 0.86 | SLC6A4 (0.65) | SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23521648 | 0.84 | SLC6A2 (0.38) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL21742901 | 0.84 | SLC6A2 (0.38) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115135644-B | Preparation method and crystal form of 3-aryloxy-3-five-membered heteroaryl-propylamine compound | 漳州片仔癀药业股份有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-112654616-B | 3-aryloxy-3-aryl-propylamines and application thereof | 漳州片仔癀药业股份有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-115135644-A | Preparation method and crystal form of 3-aryloxy-3-pentabasic heteroaryl-propylamine compound | 漳州片仔癀药业股份有限公司 | 2022-09-30 | — | — | CN | disclosed |