Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL23740124 | 0.98 | PDE7A (0.37) | OXTRPDE7A | |
| SCHEMBL20104727 | 0.83 | PDE7A (0.38) | OXTRPDE7A | |
| SCHEMBL20104729 | 0.83 | PDE7A (0.38) | OXTRPDE7A | |
| SCHEMBL30817704 | 0.70 | PDE7A (0.41) | OXTRPDE7A | |
| SCHEMBL20198617 | 0.70 | PDE7A (0.36) | PDE7A | |
| SCHEMBL20198618 | 0.70 | PDE7A (0.36) | PDE7A | |
| SCHEMBL3923960 | 0.69 | OXTR (0.49) | OXTR | |
| SCHEMBL3847169 | 0.68 | HTR2C (0.35) | OXTRPDE7AHTR2CHTR2B | |
| SCHEMBL20198627 | 0.67 | PDE7A (0.44) | PDE7A | |
| SCHEMBL23740301 | 0.67 | PDE7A (0.44) | PDE7A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3327603-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | Fujitsu Limited (JP) | 2018-05-30 | — | — | EP | disclosed |