Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KYAT1 | Q16773 | 1/20 | 0.43 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.43 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | STS | P08842 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL29442994 | 0.82 | KYAT1 (0.45) | KYAT1KYAT3AADATALDH1A1STS | |
| SCHEMBL4999428 | 0.82 | KYAT1 (0.45) | KYAT1KYAT3AADATALDH1A1STS | |
| SCHEMBL29442988 | 0.81 | PTPN1 (0.47) | KYAT1KYAT3AADATALDH1A1STS | |
| SCHEMBL21490330 | 0.81 | PTPN1 (0.47) | KYAT1KYAT3AADATALDH1A1STS | |
| SCHEMBL1760532 | 0.81 | NOTUM (0.46) | ALDH1A1 | |
| SCHEMBL30390545 | 0.81 | NOTUM (0.46) | ALDH1A1 | |
| SCHEMBL30390623 | 0.81 | NOTUM (0.46) | ALDH1A1 | |
| SCHEMBL25697688 | 0.81 | NOTUM (0.46) | ALDH1A1 | |
| SCHEMBL19329216 | 0.81 | HDAC8 (0.53) | HDAC8 | |
| SCHEMBL19329217 | 0.81 | HDAC8 (0.53) | HDAC8 |
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-3481817-B1 | SPIROLACTAMS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-08-19 | — | — | EP | disclosed |