Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23740301 | 0.88 | PDE7A (0.44) | PDE7ALMNAALDH1A1KDM4ERXFP1 | |
| SCHEMBL20198627 | 0.88 | PDE7A (0.44) | PDE7ALMNAALDH1A1KDM4ERXFP1 | |
| SCHEMBL20104745 | 0.88 | PDE7A (0.44) | PDE7ALMNAALDH1A1KDM4ERXFP1 | |
| SCHEMBL11641417 | 0.75 | PDE7A (0.57) | PDE7ALMNAALDH1A1PDE7BPOLB | |
| SCHEMBL30930016 | 0.75 | PDE7A (0.57) | PDE7ALMNAALDH1A1PDE7BPOLB | |
| SCHEMBL29919493 | 0.73 | PGR (0.46) | ALDH1A1KDM4ERXFP1 | |
| SCHEMBL5894861 | 0.73 | PGR (0.46) | ALDH1A1KDM4ERXFP1 | |
| SCHEMBL11637692 | 0.72 | PDE7A (0.54) | PDE7ALMNAALDH1A1PDE7BPOLB | |
| SCHEMBL11640823 | 0.72 | PDE7A (0.54) | PDE7ALMNAALDH1A1PDE7BPOLB | |
| SCHEMBL20104727 | 0.71 | PDE7A (0.38) | PDE7ALMNAPDE7BPOLB |
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 2 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 |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |