Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL17667911 | 0.85 | SLC6A2 (0.40) | SLC6A2SLC6A4CYP2A6SLC6A3TAAR1 | |
| SCHEMBL13073821 | 0.82 | ALDH1A1 (0.39) | SLC6A2SLC6A4CYP2A6SLC6A3TAAR1 | |
| SCHEMBL242311 | 0.81 | GABRA1 (0.41) | TAAR1HTR1AALDH1A1KDM4EGABRA1 | |
| Ammonia Solution, Strong SCHEMBL25385979 | 0.79 | GABRA1 (0.39) | TAAR1HTR1AALDH1A1KDM4EGABRA1 | |
| SCHEMBL5786722 | 0.79 | GABRA1 (0.39) | TAAR1HTR1AALDH1A1KDM4EGABRA1 | |
| SCHEMBL27951839 | 0.79 | HRH3 (0.42) | SLC6A4CYP2A6TAAR1HRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28665184 | 0.78 | GABRA1 (0.38) | TAAR1HTR1AALDH1A1KDM4EGABRA1 | |
| SCHEMBL27939527 | 0.78 | CYP2A6 (0.36) | CYP2A6TAAR1HRH3ALDH1A1L3MBTL1 | |
| SCHEMBL5968788 | 0.78 | HTR5A (0.37) | ADORA2AALDH1A1KDM4ELMNAMAPT | |
| Ammonia Solution, Strong SCHEMBL27939539 | 0.76 | HTR2C (0.35) | SLC6A4CYP2A6TAAR1HRH3ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103570688-A | 2,5-diaminomethylpyrazine compounds, drug compositions, preparation method and use thereof | SHANGHAI INST MATERIA MEDICA | 2014-02-12 | — | — | CN | claimed |
| WO-2023076237-A1 | COMPOUNDS AS GLP-1R AGONISTS | TERNS PHARMACEUTICALS, INC. (US) | 2023-05-04 | — | — | WO | disclosed |
| EP-3038466-B1 | 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |
| CN-103570688-A | 2,5-diaminomethylpyrazine compounds, drug compositions, preparation method and use thereof | SHANGHAI INST MATERIA MEDICA | 2014-02-12 | — | — | CN | disclosed |