Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304003 | 1.00 | ALDH1A1 (0.48) | ALDH1A1ITGB1ITGA4LMNAL3MBTL1 | |
| SCHEMBL9303511 | 0.96 | ALDH1A1 (0.49) | ALDH1A1ITGB1ITGA4LMNAL3MBTL1 | |
| SCHEMBL9303508 | 0.96 | ALDH1A1 (0.49) | ALDH1A1ITGB1ITGA4LMNAL3MBTL1 | |
| SCHEMBL9303354 | 0.76 | POLB (0.51) | ALDH1A1ITGB1ITGA4LMNACYP2C9 | |
| SCHEMBL9303361 | 0.76 | POLB (0.51) | ALDH1A1ITGB1ITGA4LMNACYP2C9 | |
| SCHEMBL13525015 | 0.76 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1CYP2C9TSHRGAA | |
| SCHEMBL9303877 | 0.73 | TSHR (0.50) | ALDH1A1ITGB1ITGA4TSHRGAA | |
| SCHEMBL9303874 | 0.73 | TSHR (0.50) | ALDH1A1ITGB1ITGA4TSHRGAA | |
| SCHEMBL13198957 | 0.71 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1CYP2C9TSHRGAA | |
| SCHEMBL9304449 | 0.71 | HPGD (0.54) | ALDH1A1GAAHTTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5334730-A | Amidation with an 2-aminocarboxylic acid ester, cleavage the amide bond, solvent extraction to isolate | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1994-08-02 | — | — | US | disclosed |