Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| Quinaldine SCHEMBL26696133 | 0.82 | CYP1A2 (0.51) | ALDH1A1MTNR1ADDB1CRBNHRH3 | |
| SCHEMBL4130897 | 0.82 | MTNR1A (0.45) | ALDH1A1MTNR1ABRD4CREBBP | |
| SCHEMBL1734662 | 0.82 | MTNR1A (0.45) | ALDH1A1MTNR1ABRD4CREBBP | |
| SCHEMBL29683355 | 0.82 | MTNR1A (0.45) | ALDH1A1MTNR1ABRD4CREBBP | |
| SCHEMBL424121 | 0.82 | MTNR1A (0.45) | ALDH1A1MTNR1ABRD4CREBBP | |
| SCHEMBL29641564 | 0.82 | MTNR1A (0.45) | ALDH1A1MTNR1ABRD4CREBBP | |
| Hydrochloric Acid SCHEMBL28273102 | 0.80 | MTNR1A (0.44) | ALDH1A1MTNR1ABRD4CREBBP | |
| Hydrochloric Acid SCHEMBL28273100 | 0.80 | MTNR1A (0.44) | ALDH1A1MTNR1ABRD4CREBBP | |
| Ammonia Solution, Strong SCHEMBL5054545 | 0.80 | MTNR1A (0.44) | ALDH1A1MTNR1ABRD4CREBBP | |
| Quinoline SCHEMBL28112109 | 0.77 | ALDH1A1 (0.41) | ALDH1A1SLC6A2SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109053567-A | A kind of method of hydrogen transfer reduction nitrogen-containing heterocycle compound | 西南石油大学 | 2018-12-21 | — | — | CN | disclosed |