Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.51 |
| ▸ | HTR3B | O95264 | 2/20 | 0.51 |
| ▸ | HTR3A | P46098 | 2/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | HTR7 | P34969 | 2/20 | 0.51 |
| ▸ | HTR1D | P28221 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.49 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.49 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.48 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.48 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL361649 | 0.88 | ADRB1 (0.61) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL2156292 | 0.86 | ADRB1 (0.59) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL7711565 | 0.86 | ADRB1 (0.59) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL14922727 | 0.86 | CHRNB2 (0.52) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL8112635 | 0.82 | TLR9 (0.48) | TLR9TLR8TLR7SMN1; SMN2KDM4E | |
| SCHEMBL1599427 | 0.82 | CHRNB2 (0.49) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL11295851 | 0.82 | CHRNB2 (0.52) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL2876111 | 0.82 | ADRB1 (0.59) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| SCHEMBL19709332 | 0.81 | CHRNB2 (0.53) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL1639434 | 0.81 | ADRB1 (0.58) | CHRNB2CHRNA4ADRB1HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |