Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL28039137 | 0.83 | TP53 (0.62) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL28039146 | 0.83 | TP53 (0.62) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL28038889 | 0.83 | TP53 (0.62) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL28823423 | 0.83 | TP53 (0.62) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL29837177 | 0.80 | TP53 (0.43) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL28038835 | 0.80 | TP53 (0.54) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL8466175 | 0.72 | TP53 (0.51) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL17101669 | 0.72 | SMN1; SMN2 (0.39) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL27583681 | 0.71 | NPC1 (0.41) | ALDH1A1TP53NPC1JAK2RAB9A | |
| SCHEMBL29837260 | 0.70 | HDAC3 (0.36) | ALDH1A1TP53L3MBTL1CYP3A4CYP2C19 |
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-102844047-B | Immunogenic composition containing TLR active regulators | 诺华股份有限公司 | 2017-04-05 | — | — | CN | disclosed |
| CN-102844047-A | Immunogenic compositions including tlr activity modulators | NOVARTIS AG | 2012-12-26 | — | — | CN | disclosed |