Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | RXRB | P28702 | 2/20 | 0.35 |
| ▸ | RXRG | P48443 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 4/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL16691050 | 0.82 | AR (0.48) | RXRARXRBRXRGARCYP2A6 | |
| SCHEMBL3245823 | 0.81 | RXRA (0.44) | PDE2APYCR1RXRARXRBRXRG | |
| SCHEMBL25909005 | 0.79 | RXRA (0.39) | PYCR1RXRARXRBRXRGAR | |
| SCHEMBL8196522 | 0.76 | TRPA1 (0.38) | PYCR1TRPA1CYP2A6KIF11CYP1A2 | |
| SCHEMBL20455595 | 0.76 | AR (0.42) | PDE2AARKIF11HSD11B1 | |
| SCHEMBL29890778 | 0.76 | AR (0.42) | PDE2AARKIF11HSD11B1 | |
| SCHEMBL12706035 | 0.73 | KIF11 (0.53) | TRPA1KIF11FFAR1DAO | |
| SCHEMBL26145454 | 0.73 | FFAR4 (0.40) | PDE2ARXRARXRBRXRGAR | |
| SCHEMBL12886693 | 0.73 | PDE2A (0.53) | PDE2ARXRARXRBRXRGTRPA1 | |
| SCHEMBL29892139 | 0.73 | IDO1 (0.38) | ARTRPA1KIF11HSD11B1 |
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-2018141857-A1 | ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS | PHENEX PHARMACEUTICALS AG (DE) | 2018-08-09 | — | — | WO | disclosed |