Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 8/20 | 0.68 |
| ▸ | WNT3A | P56704 | 8/20 | 0.68 |
| ▸ | HTR1B | P28222 | 1/20 | 0.54 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 4/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15941192 | 0.87 | CTNNB1 (0.83) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 | |
| SCHEMBL30791009 | 0.83 | CTNNB1 (0.61) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 | |
| SCHEMBL13516717 | 0.83 | CTNNB1 (0.61) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 | |
| SCHEMBL2254908 | 0.81 | CTNNB1 (0.68) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 | |
| SCHEMBL1691662 | 0.81 | CTNNB1 (0.65) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 | |
| SCHEMBL24111717 | 0.81 | CTNNB1 (0.62) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 | |
| SCHEMBL15968867 | 0.81 | CTNNB1 (1.00) | CTNNB1WNT3AHTR1BIDO1 | |
| SCHEMBL29987426 | 0.80 | CTNNB1 (0.63) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 | |
| SCHEMBL663873 | 0.80 | CTNNB1 (0.63) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 | |
| Hydrochloric Acid SCHEMBL2822366 | 0.80 | CTNNB1 (0.63) | CTNNB1WNT3AHTR1BTAS1R3TAS1R1 |
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-2012149157-A2 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX (US) | 2012-11-01 | — | — | WO | disclosed |