Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.41 |
| ▸ | HTR3B | O95264 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | BPTF | Q12830 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 3/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL194071 | 0.85 | BPTF (0.40) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| SCHEMBL16094663 | 0.84 | BRAF (0.46) | — | |
| SCHEMBL3767248 | 0.82 | BPTF (0.35) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| Fumaric Acid SCHEMBL3767244 | 0.77 | KDM4E (0.37) | HTR1AHTR2ABPTFSLC6A2NCF1 | |
| SCHEMBL194070 | 0.75 | BPTF (0.40) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| SCHEMBL8250571 | 0.73 | CHRNB2 (0.52) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| SCHEMBL21091581 | 0.72 | BRAF (0.47) | — | |
| SCHEMBL195203 | 0.72 | BPTF (0.51) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| SCHEMBL30282824 | 0.72 | BPTF (0.51) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| SCHEMBL22042604 | 0.69 | FLT1 (0.36) | HTR2C |
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-2010097332-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |