Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17195073 | 0.85 | TOP1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TOP1 | |
| SCHEMBL24155448 | 0.84 | NPC1 (0.47) | ALDH1A1HPGDNPSR1CYP11B1CYP11B2 | |
| SCHEMBL28672192 | 0.80 | NPC1 (0.70) | ALDH1A1HPGDNPC1KDM4EMAPT | |
| SCHEMBL27784580 | 0.78 | RIPK1 (0.50) | ALDH1A1CYP11B1CYP11B2RIPK1NPC1 | |
| SCHEMBL19916545 | 0.77 | NPC1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2TOP1 | |
| SCHEMBL28437181 | 0.76 | CYSLTR1 (0.60) | ALDH1A1HTT | |
| Diphenylether SCHEMBL7169962 | 0.75 | LTA4H (0.60) | ALDH1A1NPC1KDM4EMAPTRAB9A | |
| SCHEMBL29663058 | 0.75 | ALDH1A1 (0.54) | ALDH1A1NPC1KDM4EMAPTRAB9A | |
| SCHEMBL17851058 | 0.75 | NPC1 (0.41) | NPSR1NPC1KDM4EMAPTRAB9A | |
| SCHEMBL2194874 | 0.74 | CYP1A2 (0.59) | ALDH1A1CYP11B1CYP11B2RIPK1NPC1 |
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-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 |