Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28074310 | 0.92 | ALDH1A1 (0.41) | ALDH1A1CYP2C19TDP1MAPTTSHR | |
| SCHEMBL2926850 | 0.90 | ALDH1A1 (0.45) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 | |
| SCHEMBL7520658 | 0.90 | ALDH1A1 (0.48) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 | |
| SCHEMBL28107815 | 0.88 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 | |
| SCHEMBL10075958 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 | |
| SCHEMBL1673430 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 | |
| SCHEMBL12781330 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 | |
| SCHEMBL6449344 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 | |
| SCHEMBL21919140 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 | |
| SCHEMBL13854484 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP2C19TDP1L3MBTL1 |
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-109721606-A | Nitrogenous compound and Organnic electroluminescent device including the nitrogenous compound | 三星显示有限公司 | 2019-05-07 | — | — | CN | disclosed |