Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17313641 | 0.85 | SNCA (0.56) | CA12CA1CA2CA7CA9 | |
| Pyridine SCHEMBL28238577 | 0.84 | CHRNB2 (0.49) | CA12CA1CA2CA7CA9 | |
| 1,4-Diallyloxybenzene SCHEMBL302448 | 0.83 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7329611 | 0.79 | METAP1 (0.52) | — | |
| SCHEMBL2533057 | 0.77 | CCR1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16371575 | 0.76 | AOC3 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL472165 | 0.76 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9065504 | 0.76 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3487338 | 0.76 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL88417 | 0.76 | AOC3 (0.54) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104066730-B | Heterocyclic compounds and their use as type III receptor tyrosine kinase modulators | 埃姆比特生物科学公司 | 2017-03-08 | — | — | CN | disclosed |
| US-7563507-B2 | Pyridine and related ligand compounds, functionalized nanoparticulate composites and methods of preparation | UNIVERSITY OF MASSACHUSETTS (US) | 2009-07-21 | — | — | US | disclosed |
| US-7563507-B2 | Pyridine and related ligand compounds, functionalized nanoparticulate composites and methods of preparation | UNIVERSITY OF MASSACHUSETTS (US) | 2009-07-21 | — | — | US | disclosed |