Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | DGKA | P23743 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 2/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9867921 | 0.93 | DGKA (0.56) | ALDH1A1CES1CES2DGKALMNA | |
| SCHEMBL242588 | 0.87 | ALDH1A1 (0.68) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL50168 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CES1CES2DGKATP53 | |
| Acetic Acid SCHEMBL28418935 | 0.85 | ALDH1A1 (0.59) | ALDH1A1CES1CES2DGKATP53 | |
| Fluoride SCHEMBL28138819 | 0.84 | ALDH1A1 (0.65) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL27467140 | 0.84 | ALDH1A1 (0.65) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL473817 | 0.84 | — | — | |
| SCHEMBL10448155 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL28412264 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CES1CES2DGKATP53 | |
| SCHEMBL9868565 | 0.82 | DGKA (0.50) | ALDH1A1CES1CES2DGKALMNA |
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-6410525-B1 | ANTIBIOTICS | KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 2002-06-25 | — | — | US | disclosed |