Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 4/20 | 0.49 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 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 | |
|---|---|---|---|---|
| SCHEMBL5364327 | 0.84 | CACNA1B (0.59) | CACNA1BPTGESTAS2R14ALDH1A1SMN1; SMN2 | |
| SCHEMBL5757246 | 0.82 | ALDH1A1 (0.47) | CACNA1BALDH1A1SMN1; SMN2EPHX2KMT2A | |
| SCHEMBL5755414 | 0.82 | ALDH1A1 (0.47) | CACNA1BALDH1A1SMN1; SMN2EPHX2KMT2A | |
| SCHEMBL5759155 | 0.79 | CACNA1B (0.51) | CACNA1BPTGESTAS2R14ALDH1A1SMN1; SMN2 | |
| SCHEMBL5356376 | 0.75 | CACNA1B (0.73) | CACNA1BALDH1A1PPARA | |
| SCHEMBL5356355 | 0.74 | GAA (0.35) | ALDH1A1SMN1; SMN2HTTEPHX2NPC1 | |
| SCHEMBL5349008 | 0.70 | ALDH1A1 (0.48) | CACNA1BALDH1A1SMN1; SMN2EPHX2KMT2A | |
| SCHEMBL5352506 | 0.70 | ALDH1A1 (0.48) | CACNA1BALDH1A1SMN1; SMN2EPHX2KMT2A | |
| SCHEMBL5356190 | 0.70 | ALDH1A1 (0.48) | CACNA1BALDH1A1SMN1; SMN2EPHX2KMT2A | |
| SCHEMBL5759147 | 0.69 | CACNA1B (0.52) | CACNA1BPTGESTAS2R14ALDH1A1SMN1; SMN2 |
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-0997147-B1 | AMINO ACID DERIVATIVES | ONO PHARMACEUTICAL CO (JP) | 2006-03-15 | — | — | EP | claimed |