Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 1/20 | 0.54 |
| ▸ | FPR2 | P25090 | 2/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.52 |
| ▸ | PPARG | P37231 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7386258 | 1.00 | ALDH1A1 (0.57) | ALDH1A1GAAALOX15IDO1FPR2 | |
| SCHEMBL7382357 | 0.88 | CYP3A4 (0.55) | ALDH1A1GAAALOX15IDO1FPR2 | |
| SCHEMBL5164472 | 0.85 | ALDH1A1 (0.57) | ALDH1A1GAAALOX15FPR2ITGA4 | |
| SCHEMBL5164476 | 0.85 | ALDH1A1 (0.57) | ALDH1A1GAAALOX15FPR2ITGA4 | |
| SCHEMBL5281064 | 0.85 | KMT2A (0.49) | ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL11588025 | 0.84 | KEAP1 (0.52) | ALDH1A1GAAKEAP1MEN1KMT2A | |
| SCHEMBL6379825 | 0.83 | ALDH1A1 (0.76) | ALDH1A1GAAALOX15FPR2MEN1 | |
| SCHEMBL6373420 | 0.83 | ALDH1A1 (0.76) | ALDH1A1GAAALOX15FPR2MEN1 | |
| SCHEMBL6373428 | 0.83 | ALDH1A1 (0.76) | ALDH1A1GAAALOX15FPR2MEN1 | |
| SCHEMBL7421120 | 0.83 | FPR2 (0.54) | ALDH1A1GAAFPR2KEAP1PPARG |
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-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |