Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 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 | |
|---|---|---|---|---|
| SCHEMBL439485 | 0.87 | TOP2A (0.41) | ALDH1A1CYP1A2L3MBTL1CYP2C19TDP1 | |
| SCHEMBL17739646 | 0.83 | ALDH1A1 (0.35) | ALDH1A1CYP1A2L3MBTL1CYP2C19TDP1 | |
| SCHEMBL28075713 | 0.81 | MAPT (0.47) | L3MBTL1TDP1CYP3A4CYP2D6KDM4E | |
| SCHEMBL27640683 | 0.81 | LRRK2 (0.48) | ALDH1A1CYP1A2L3MBTL1CYP2C19TDP1 | |
| SCHEMBL29506436 | 0.79 | GRM4 (0.49) | ALDH1A1CYP1A2KDM4EACVR1AURKB | |
| SCHEMBL16484497 | 0.79 | GRM4 (0.49) | ALDH1A1CYP1A2KDM4EACVR1AURKB | |
| SCHEMBL24092688 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CYP1A2L3MBTL1CYP2C19TDP1 | |
| SCHEMBL28950826 | 0.78 | PIK3CA (0.51) | ALDH1A1CYP1A2KDM4EACVR1AURKB | |
| SCHEMBL25475085 | 0.77 | SMN1; SMN2 (0.42) | ALDH1A1TDP1KDM4EMAPTMEN1 | |
| SCHEMBL17811579 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP1A2L3MBTL1CYP2C19TDP1 |
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-106083845-A | A kind of 1,5 naphthyridine type luminous organic material compounds and synthetic method thereof and application | 金陵科技学院 | 2016-11-09 | — | — | CN | claimed |
| CN-106083845-A | A kind of 1,5 naphthyridine type luminous organic material compounds and synthetic method thereof and application | 金陵科技学院 | 2016-11-09 | — | — | CN | disclosed |