Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | FABP7 | O15540 | 3/20 | 0.50 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25641874 | 1.00 | CA1 (0.54) | CA1CA2ALDH1A1FABP7FABP5 | |
| SCHEMBL24515756 | 1.00 | CA1 (0.54) | CA1CA2ALDH1A1FABP7FABP5 | |
| Hydrochloric Acid SCHEMBL30288663 | 0.99 | CA1 (0.53) | CA1CA2ALDH1A1FABP7FABP5 | |
| Hydrochloric Acid SCHEMBL30288874 | 0.99 | CA1 (0.53) | CA1CA2ALDH1A1FABP7FABP5 | |
| SCHEMBL3285130 | 0.90 | CA1 (0.62) | CA1CA2ALDH1A1FABP7FABP5 | |
| SCHEMBL13197284 | 0.90 | CA1 (0.62) | CA1CA2ALDH1A1FABP7FABP5 | |
| SCHEMBL13197296 | 0.90 | CA1 (0.62) | CA1CA2ALDH1A1FABP7FABP5 | |
| SCHEMBL5837028 | 0.85 | FABP7 (0.60) | CA1CA2ALDH1A1FABP7FABP5 | |
| SCHEMBL5837030 | 0.85 | FABP7 (0.60) | CA1CA2ALDH1A1FABP7FABP5 | |
| SCHEMBL10119913 | 0.85 | FABP7 (0.60) | CA1CA2ALDH1A1FABP7FABP5 |
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-2022122773-A1 | 4-(2-FLUORO-4-METHOXY-5-3-(((1-METHYLCYCLOBUTYL)METHYL)CARBAMOYL)BICYCLO[2.2.1]HEPTAN-2-YL)CARBAMOYL)PHENOXY)-1-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE | ASTRAZENECA AB (SE) | 2022-06-16 | — | — | WO | disclosed |