Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1504258 | 0.72 | ADRA1A (0.41) | ADRA1AIDO1SIGMAR1PDPK1CYP11B2 | |
| SCHEMBL5680358 | 0.67 | ADRA1A (0.39) | ADRA1AIDO1SIGMAR1PDPK1CYP11B2 | |
| SCHEMBL4795332 | 0.66 | ADRA1A (0.44) | ADRA1AIDO1SIGMAR1PDPK1CYP11B2 | |
| SCHEMBL9206944 | 0.65 | ALDH1A1 (0.40) | ALDH1A1TAS1R3TAS1R1MCHR1FABP4 | |
| SCHEMBL30606845 | 0.65 | SIGMAR1 (0.60) | ADRA1ASIGMAR1CYP11B2 | |
| SCHEMBL8189288 | 0.64 | ADRA1A (0.49) | ADRA1AIDO1SIGMAR1PDPK1CYP11B2 | |
| SCHEMBL78975 | 0.64 | ADRA2A (0.43) | ADRA1AALDH1A1IDO1 | |
| SCHEMBL2399221 | 0.64 | ADRA2A (0.43) | ADRA1AALDH1A1IDO1SIGMAR1 | |
| SCHEMBL4278950 | 0.63 | ADRA1A (0.51) | ADRA1AALDH1A1IDO1SIGMAR1PDPK1 | |
| SCHEMBL503849 | 0.63 | SIGMAR1 (0.62) | ADRA1ASIGMAR1CYP11B2 |
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-2016082930-A9 | SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II | Grünenthal GmbH (DE) | 2016-11-24 | — | — | WO | disclosed |