Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.44 |
| ▸ | WDR5 | P61964 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13131222 | 1.00 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7001617 | 0.86 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7447276 | 0.86 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14996320 | 0.86 | KMT2A (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL484852 | 0.85 | ACHE (0.54) | PDE4APDE4BPDE4CPDE4DTAS1R3 | |
| SCHEMBL784705 | 0.85 | TAS1R3 (0.45) | PDE4APDE4BPDE4CPDE4DTAS1R3 | |
| SCHEMBL784704 | 0.85 | TAS1R3 (0.45) | PDE4APDE4BPDE4CPDE4DTAS1R3 | |
| SCHEMBL784469 | 0.84 | HTT (0.62) | PDE4APDE4BPDE4CPDE4DTAS1R3 | |
| SCHEMBL784599 | 0.84 | HTT (0.62) | PDE4APDE4BPDE4CPDE4DTAS1R3 | |
| SCHEMBL784931 | 0.82 | WDR5 (0.43) | PDE4APDE4BPDE4CPDE4DTAS1R3 |
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-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |