Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22500721 | 0.80 | GPR84 (0.50) | ALDH1A1TSHRCA2MAPK1GPR84 | |
| SCHEMBL1783226 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CA2MAPK1CA1SLC15A1 | |
| SCHEMBL9176733 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TP53TSHRCA2MAPK1 | |
| SCHEMBL1410690 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TP53TSHRCA2MAPK1 | |
| Bicarbonate SCHEMBL6442737 | 0.79 | CA2 (0.52) | CA2MAPK1CA1SLC15A1FDPS | |
| SCHEMBL1410252 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TP53TSHRCA2MAPK1 | |
| SCHEMBL3185161 | 0.75 | DNM1 (0.47) | ALDH1A1TSHRCA2MAPK1CA1 | |
| SCHEMBL22345156 | 0.75 | DNM1 (0.47) | ALDH1A1TSHRCA2MAPK1CA1 | |
| SCHEMBL17681357 | 0.75 | ALDH1A1 (0.72) | ALDH1A1TP53TSHRMAPK1GPR84 | |
| SCHEMBL1410439 | 0.74 | ACE2 (0.52) | ALDH1A1TP53TSHRCA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001051449-A1 | METHOD FOR PRODUCING ENANTIOMER-PURE ANALOGS OF VALPROIC ACID | NAU HEINZ (DE) | 2001-07-19 | — | — | WO | disclosed |