Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | MC3R | P41968 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29993937 | 0.82 | — | — | |
| SCHEMBL78340 | 0.82 | — | — | |
| SCHEMBL29742199 | 0.80 | KDM4E (0.61) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyrazine SCHEMBL15798805 | 0.80 | KDM4E (0.61) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyridazine SCHEMBL8009086 | 0.78 | KDM4E (0.53) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| SCHEMBL7085346 | 0.75 | KDM4E (0.55) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Acetone SCHEMBL4541424 | 0.74 | — | — | |
| SCHEMBL28434671 | 0.73 | KDM4E (0.52) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Acetic Acid SCHEMBL9630666 | 0.72 | FFAR3 (0.35) | — | |
| Acetophenone SCHEMBL16114519 | 0.71 | SMN1; SMN2 (0.46) | TSHRRAB9ANPC1SMN1; SMN2ALDH1A1 |
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-102260268-B | Benzylthio acetamido acetylpyrazine triazole derivative as well as preparation thereof and application thereof | QI YOUMAO | 2013-04-03 | — | — | CN | disclosed |
| CN-102260268-A | Benzylthio acetamido acetylpyrazine triazole derivative as well as preparation thereof and application thereof | — | 2011-11-30 | — | — | CN | disclosed |