Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA4 | P22748 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.35 |
| ▸ | DPP4 | P27487 | 5/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12583302 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| Hydrochloric Acid SCHEMBL28058836 | 0.98 | CHRNB2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| Hydrochloric Acid SCHEMBL28058840 | 0.98 | CHRNB2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| Hydrochloric Acid SCHEMBL28058830 | 0.85 | CHRNB2 (0.44) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| Hydrochloric Acid SCHEMBL28720788 | 0.85 | CHRNB2 (0.44) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL4678845 | 0.84 | CA1 (0.36) | CA1CA2CA4CA9DPP4 | |
| SCHEMBL14040662 | 0.84 | CA1 (0.35) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL12583046 | 0.84 | CA1 (0.35) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL12583515 | 0.84 | CA1 (0.35) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL918097 | 0.84 | CA1 (0.36) | CA1CA2CA4CA9DPP4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2336132-A1 | MORPHOLINOPURINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2011-06-22 | — | — | EP | disclosed |