Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 5/20 | 0.43 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.41 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28604180 | 0.98 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL1077622 | 0.98 | CHRNB2 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL6962021 | 0.96 | CHRNB2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL27479948 | 0.96 | CHRNB2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Methyl Alcohol SCHEMBL27728409 | 0.93 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL5530018 | 0.92 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL3011993 | 0.92 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL28866229 | 0.91 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Dioxane SCHEMBL27542422 | 0.90 | PIK3C3 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Methyl Alcohol SCHEMBL23748591 | 0.87 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101258151-A | Process for the synthesis of stereoisomeric compounds useful in the treatment of gastrointestinal and central nervous system disorders and intermediates | ARYX THERAPEUTICS INC (US) | 2008-09-03 | — | — | CN | claimed |
| CN-108026057-B | Heterocycloalkyl-derived compounds as selective histone deacetylase inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2021-08-06 | — | — | CN | disclosed |
| CN-106029060-A | piperidine and piperidine derivatives and their use in the treatment of viral infections and cancer | 美国卫生和人力服务部 | 2016-10-12 | — | — | CN | disclosed |
| CN-101258151-B | Process for the synthesis of stereoisomeric compounds useful in the treatment of gastrointestinal and central nervous system disorders and intermediates | ARYX THERAPEUTICS INC | 2012-10-10 | — | — | CN | disclosed |
| CN-101258151-A | Process for the synthesis of stereoisomeric compounds useful in the treatment of gastrointestinal and central nervous system disorders and intermediates | ARYX THERAPEUTICS INC (US) | 2008-09-03 | — | — | CN | disclosed |