Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4922389 | 0.83 | ALDH1A1 (0.52) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL12129021 | 0.83 | ALDH1A1 (0.52) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL11722029 | 0.82 | ALOX15 (0.47) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL147185 | 0.82 | ALDH1A1 (0.55) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL5706163 | 0.80 | ADRA2A (0.49) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL4427776 | 0.80 | ADRA2A (0.49) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL28331350 | 0.80 | ADRA2A (0.49) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL31360667 | 0.80 | ADRA2A (0.49) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL4872766 | 0.80 | ALOX15 (0.53) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 | |
| SCHEMBL28564245 | 0.80 | ADRA2A (0.49) | ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1 |
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 |