Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL518088 | 0.82 | LDHA (0.40) | ALDH1A1TDP1 | |
| 3-Methylbutanoic Acid SCHEMBL28545967 | 0.80 | TDP1 (0.52) | ALDH1A1TDP1CACNA2D1CACNB3CACNA1C | |
| SCHEMBL9126999 | 0.75 | SLC22A6 (0.33) | TDP1CACNA2D1CACNB3CACNA1CPGR | |
| 3-Methylbutanoic Acid SCHEMBL6240548 | 0.74 | CYP1A2 (0.44) | ALDH1A1TDP1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL3670028 | 0.73 | FFAR3 (0.54) | ALDH1A1TDP1 | |
| SCHEMBL6914535 | 0.72 | LDHA (0.35) | ALDH1A1TDP1 | |
| SCHEMBL7948515 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL268814 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TDP1 | |
| 3-Methylbutanoic Acid SCHEMBL9170064 | 0.71 | CYP1A2 (0.41) | ALDH1A1TDP1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL609818 | 0.71 | TDP1 (0.58) | ALDH1A1TDP1CACNA2D1CACNB3CACNA1C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0408674-A1 | ALTERNATIVE ENERGY SUBSTRATE | Kabi Pharmacia AB (SE) | 1991-01-23 | — | — | EP | claimed |
| WO-1990002726-A1 | ALTERNATIVE ENERGY SUBSTRATE | KABIVITRUM AB (SE) | 1990-03-22 | — | — | WO | claimed |