Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | PPARA | Q07869 | 3/20 | 0.34 |
| ▸ | CES1 | P23141 | 4/20 | 0.33 |
| ▸ | CES2 | O00748 | 3/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.33 |
| ▸ | CTSG | P08311 | 3/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.33 |
| ▸ | CMA1 | P23946 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27842032 | 0.84 | AAK1 (0.56) | AAK1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL16371038 | 0.77 | AAK1 (0.68) | AAK1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL381892 | 0.76 | AAK1 (0.48) | AAK1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL7711956 | 0.74 | AAK1 (0.47) | AAK1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL1224952 | 0.74 | AAK1 (0.43) | AAK1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL1068082 | 0.73 | AAK1 (0.56) | AAK1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL18770572 | 0.72 | AAK1 (0.59) | AAK1PPARGPPARACES1ALDH1A1 | |
| SCHEMBL28364263 | 0.72 | AAK1 (0.59) | AAK1PPARGPPARACES1ALDH1A1 | |
| SCHEMBL28367717 | 0.72 | AAK1 (0.59) | AAK1PPARGPPARACES1ALDH1A1 | |
| SCHEMBL1226113 | 0.72 | AAK1 (0.43) | AAK1PPARGPPARACES1ALDH1A1 |
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-2016027285-A2 | BICYCLIC HETEROARYL AMIDES AS CATHEPSIN CYSTEINE PROTEASE INHIBITORS | ALKEM LABORATORIES LTD. (IN) | 2016-02-25 | — | — | WO | disclosed |