Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| 3-Methylbutanoic Acid SCHEMBL43436 | 0.86 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL467274 | 0.86 | TDP1 (0.56) | TDP1ALDH1A1CACNA2D1ADRA1ACACNB3 | |
| 3-Methylbutanoic Acid SCHEMBL1331498 | 0.86 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8572477 | 0.83 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8570892 | 0.83 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL123995 | 0.83 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL6113289 | 0.83 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL6139482 | 0.83 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL9185998 | 0.83 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8574420 | 0.83 | — | — |
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-0240609-B1 | ANTIBIOTIC A 40926 N-ACYLAMINOGLUCURONYL AGLYCONS AND ANTIBIOTIC A 40926 AGLYCON | GRUPPO LEPETIT S.p.A. (IT) | 1991-12-04 | — | — | EP | disclosed |