Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 6/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | GAPDH | P04406 | 1/20 | 0.43 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.43 |
| ▸ | HSPA8 | P11142 | 1/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | MSN | P26038 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6583708 | 1.00 | CHRNB4 (0.49) | CHRNB4CHRNA3CHRNB2CHRNA4TDP1 | |
| SCHEMBL6583963 | 0.87 | CHRNB4 (0.49) | CHRNB4CHRNA3CHRNB2CHRNA4TDP1 | |
| SCHEMBL6583969 | 0.87 | CHRNB4 (0.49) | CHRNB4CHRNA3CHRNB2CHRNA4TDP1 | |
| SCHEMBL6796053 | 0.84 | HSP90AA1 (0.46) | CHRNB4CHRNA3CHRNB2CHRNA4TDP1 | |
| Hydrochloric Acid SCHEMBL10469680 | 0.83 | HSP90AA1 (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4TDP1 | |
| Hydrochloric Acid SCHEMBL10469678 | 0.83 | HSP90AA1 (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4TDP1 | |
| SCHEMBL8566869 | 0.82 | HSP90AA1 (0.47) | TDP1ALDH1A1SMN1; SMN2HSP90AA1HTT | |
| SCHEMBL6799096 | 0.82 | MAPT (0.49) | CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL2241528 | 0.75 | TDP1 (0.52) | TDP1PNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL7213664 | 0.74 | TDP1 (0.51) | TDP1PNMTADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-1146044-B1 | CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them | SERVIER LAB (FR) | 2004-09-01 | — | — | EP | disclosed |
| EP-1146044-A1 | CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 2001-10-17 | — | — | EP | disclosed |