Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12806211 | 0.94 | HRH3 (0.44) | CYP2A6ALDH1A1LOXL2CA12CA2 | |
| SCHEMBL12733256 | 0.90 | CYP2A6 (0.47) | CYP2A6ALDH1A1LOXL2CA12CA2 | |
| SCHEMBL30239355 | 0.89 | DRD2 (0.44) | CYP2A6ALDH1A1LOXL2HRH3CHRNB2 | |
| SCHEMBL5776081 | 0.88 | L3MBTL1 (0.43) | CYP2A6ALDH1A1LOXL2CA12CA2 | |
| SCHEMBL6585023 | 0.88 | CYP2A6 (0.41) | CYP2A6ALDH1A1LOXL2CA12CA2 | |
| SCHEMBL18867344 | 0.88 | LOXL2 (0.45) | CYP2A6ALDH1A1LOXL2CA12CA2 | |
| SCHEMBL5776229 | 0.88 | APP (0.46) | CYP2A6ALDH1A1LOXL2CA12CA2 | |
| SCHEMBL14516341 | 0.85 | HRH3 (0.50) | CYP2A6ALDH1A1HRH3TSHRKIF11 | |
| SCHEMBL31753742 | 0.85 | CYP2A6 (0.38) | CYP2A6ALDH1A1LOXL2CA12CA2 | |
| SCHEMBL4299065 | 0.84 | CYP2A6 (0.50) | CYP2A6ALDH1A1LOXL2CA12CA2 |
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-2116236-A1 | Bisbenzamidine derivatives for use as antioxidant | Université de Mons-Hainaut (BE) | 2009-11-11 | — | — | EP | disclosed |