Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.67 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.67 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10774940 | 0.92 | SLC6A4 (0.73) | SLC6A4TAAR1SLC6A2MAOASLC6A3 | |
| SCHEMBL24098463 | 0.85 | TAAR1 (0.69) | SLC6A4TAAR1SLC6A2MAOASLC6A3 | |
| SCHEMBL28973673 | 0.85 | TAAR1 (0.69) | SLC6A4TAAR1SLC6A2MAOASLC6A3 | |
| SCHEMBL30116724 | 0.85 | TAAR1 (0.69) | SLC6A4TAAR1SLC6A2MAOASLC6A3 | |
| SCHEMBL9252743 | 0.84 | LTA4H (0.55) | — | |
| SCHEMBL18713541 | 0.81 | FFAR1 (0.49) | — | |
| SCHEMBL11439744 | 0.81 | LTA4H (0.48) | MAOA | |
| Amphetamine SCHEMBL13747801 | 0.81 | SLC6A2 (1.00) | SLC6A4TAAR1SLC6A2MAOASLC6A3 | |
| Levamfetamine SCHEMBL2636 | 0.81 | SLC6A2 (1.00) | SLC6A4TAAR1SLC6A2MAOASLC6A3 | |
| Amphetamine SCHEMBL13746679 | 0.81 | SLC6A2 (1.00) | SLC6A4TAAR1SLC6A2MAOASLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024193313-A1 | ISOCHROMANE COMPOUNDS AS WELL AS PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 江苏联环药业股份有限公司 | 2024-09-26 | — | — | WO | disclosed |
| CN-118632740-A | Reactive crystallization process | 微孔技术有限公司 | 2024-09-10 | — | — | CN | disclosed |
| CN-117343036-A | Isochroman compound, and pharmaceutical composition and application thereof | 江苏联环药业股份有限公司 | 2024-01-05 | — | — | CN | disclosed |