Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL25155815 | 0.90 | SLC6A4 (0.53) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31360121 | 0.90 | SLC6A4 (0.53) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26221123 | 0.81 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29218751 | 0.80 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31008989 | 0.80 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25893788 | 0.77 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5361306 | 0.77 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3518513 | 0.77 | SLC6A4 (1.00) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL43248 | 0.74 | — | — | |
| SCHEMBL20104825 | 0.74 | — | — |
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 |