Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.46 |
| ▸ | PDE4A | P27815 | 13/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155928 | 0.93 | PDE4A (0.47) | QDPRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL12074537 | 0.88 | QDPR (0.65) | QDPRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1494013 | 0.79 | NR3C1 (0.64) | QDPRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10246888 | 0.78 | HTR2A (0.50) | QDPRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13063388 | 0.78 | PDE4B (0.49) | PDE4APDE4BPDE4CPDE4DHTR2A | |
| SCHEMBL16954192 | 0.78 | POLQ (0.35) | QDPRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL26514000 | 0.78 | PDE4B (0.40) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14853456 | 0.78 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4D | |
| Ammonia Solution, Strong SCHEMBL7288975 | 0.77 | NR3C1 (0.62) | QDPRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10029360 | 0.76 | QDPR (0.50) | QDPRPDE4APDE4BPDE4CPDE4D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018075937-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2018-04-26 | — | — | WO | disclosed |
| WO-2018071794-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2018-04-19 | — | — | WO | disclosed |