Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.43 |
| ▸ | SCN7A | Q01118 | 7/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22534298 | 0.84 | HDAC2 (0.43) | MAP4K4ALDH1A1 | |
| SCHEMBL29935519 | 0.84 | HDAC2 (0.43) | MAP4K4ALDH1A1 | |
| SCHEMBL28470805 | 0.81 | SCN9A (0.39) | SCN7AKCNH2SCN10A | |
| SCHEMBL28476341 | 0.79 | ALOX15 (0.42) | ALDH1A1HPGD | |
| SCHEMBL22534230 | 0.77 | HRH3 (0.41) | HRH3SCN10APGR | |
| SCHEMBL29935413 | 0.77 | HRH3 (0.41) | HRH3SCN10APGR | |
| SCHEMBL22534222 | 0.76 | CYP11B1 (0.37) | — | |
| SCHEMBL29935557 | 0.76 | CYP11B1 (0.37) | — | |
| SCHEMBL29935497 | 0.75 | HTR3A (0.38) | HRH3ALDH1A1HPGD | |
| SCHEMBL2744804 | 0.71 | MEN1 (0.49) | ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-111793025-B | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2022-09-23 | — | — | CN | disclosed |
| CN-111793025-A | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2020-10-20 | — | — | CN | disclosed |