Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 8/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305170 | 0.79 | TAAR1 (0.44) | SLC6A4TAAR1TSHR | |
| SCHEMBL29138031 | 0.77 | LTA4H (0.38) | SLC6A4SLC7A5TAAR1 | |
| SCHEMBL9418415 | 0.74 | MTNR1A (0.37) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL926005 | 0.72 | MAPK1 (0.41) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL8566512 | 0.72 | PPARG (0.41) | SLC6A4SLC6A2SLC6A3PPARGPPARA | |
| SCHEMBL963521 | 0.72 | CA4 (0.41) | SLC6A4TAAR1 | |
| SCHEMBL2701320 | 0.71 | CHRNB2 (0.50) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Hydrochloric Acid SCHEMBL29278092 | 0.71 | CA4 (0.39) | SLC6A4TAAR1 | |
| SCHEMBL17459935 | 0.67 | TAAR1 (0.41) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL2280790 | 0.66 | ALDH1A1 (0.50) | TAAR1MEN1ALOX15TSHRKMT2A |
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 2 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-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 |