Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 7/20 | 0.38 |
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.32 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20104729 | 1.00 | PDE7A (0.38) | PDE7AOXTRPDE7BACAT2LMNA | |
| SCHEMBL23740124 | 0.85 | PDE7A (0.37) | PDE7AOXTRPDE7BACAT2LMNA | |
| SCHEMBL20198598 | 0.83 | OXTR (0.36) | PDE7AOXTR | |
| SCHEMBL30817704 | 0.74 | PDE7A (0.41) | PDE7AOXTRPDE7BACAT2LMNA | |
| SCHEMBL20104700 | 0.71 | PDE7A (0.36) | PDE7APDE7B | |
| SCHEMBL20104744 | 0.71 | PDE7A (0.44) | PDE7APDE7BLMNAPOLB | |
| SCHEMBL24505981 | 0.71 | OXTR (0.48) | OXTR | |
| SCHEMBL6914407 | 0.70 | MAPT (0.43) | PDE7AACAT2LMNAPOLB | |
| SCHEMBL3923960 | 0.69 | OXTR (0.49) | OXTR | |
| SCHEMBL7825051 | 0.66 | LMNA (0.33) | LMNAPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11195597-B2 | Method and device for calculating acid dissociation constant, and program | FUJITSU LIMITED (JP) | 2021-12-07 | — | — | US | disclosed |
| EP-3327603-B1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LTD (JP) | 2021-08-11 | — | — | EP | disclosed |
| EP-3327603-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | Fujitsu Limited (JP) | 2018-05-30 | — | — | EP | disclosed |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |