Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 9/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2595303 | 0.89 | DAO (0.53) | RIPK1DAOCCNB2CDK1CCNB1 | |
| Quinoline SCHEMBL28065955 | 0.83 | ALDH1A1 (0.57) | ALDH1A1HTTCYP1A2CYP2C19NPC1 | |
| Quinoline SCHEMBL27928312 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HTTCYP1A2CYP2C19DAO | |
| Quinoline SCHEMBL28216931 | 0.80 | ALDH1A1 (0.57) | ALDH1A1HTTCYP1A2CYP2C19RIPK1 | |
| Quinoline SCHEMBL137291 | 0.78 | ALDH1A1 (0.94) | ALDH1A1HTTCYP1A2CYP2C19NPC1 | |
| Quinoline SCHEMBL27611581 | 0.75 | ALDH1A1 (0.90) | ALDH1A1HTTCYP1A2CYP2C19NPC1 | |
| Quinoline SCHEMBL27594824 | 0.75 | ALDH1A1 (0.90) | ALDH1A1HTTCYP1A2CYP2C19NPC1 | |
| Quinoline SCHEMBL29349552 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HTTCYP1A2CYP2C19NPC1 | |
| Quinoline SCHEMBL32661377 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HTTCYP1A2CYP2C19NPC1 | |
| Quinoline SCHEMBL29822171 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HTTCYP1A2CYP2C19NPC1 |
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-105622605-A | Synthesis method of 5-bromo-7-azaindole | ITIC MEDCHEM CO LTD | 2016-06-01 | — | — | CN | claimed |
| CN-105622605-A | Synthesis method of 5-bromo-7-azaindole | ITIC MEDCHEM CO LTD | 2016-06-01 | — | — | CN | disclosed |