Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 4/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | MELK | Q14680 | 7/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4586182 | 0.91 | GBA1 (0.39) | ALDH1A1HPGDTSHRGBA1GLA | |
| Trifluoroacetic Acid SCHEMBL4586199 | 0.91 | GBA1 (0.39) | ALDH1A1HPGDTSHRGBA1GLA | |
| Trifluoroacetic Acid SCHEMBL2988928 | 0.90 | GAA (0.43) | GBA1GLAMAPTHSD17B10GAA | |
| Trifluoroacetic Acid SCHEMBL5049855 | 0.90 | GAA (0.43) | GBA1GLAMAPTHSD17B10GAA | |
| SCHEMBL4585828 | 0.89 | GAA (0.35) | ALDH1A1MELKMAPTHSD17B10GAA | |
| SCHEMBL4585472 | 0.83 | MEN1 (0.35) | EGFRESR1MEN1KMT2A | |
| SCHEMBL4585717 | 0.83 | MEN1 (0.38) | ALDH1A1MELKKDM4EMEN1KMT2A | |
| SCHEMBL2993692 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HPGDTSHRGBA1GLA | |
| SCHEMBL2993695 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HPGDTSHRGBA1GLA | |
| Trifluoroacetic Acid SCHEMBL2988931 | 0.82 | GBA1 (0.39) | ALDH1A1HPGDTSHRGBA1GLA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1879563-A4 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2008-07-16 | — | — | EP | disclosed |
| EP-1879563-A2 | NOVEL CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006132739-A2 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-12-14 | — | — | WO | disclosed |