Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 17/20 | 0.52 |
| ▸ | ERBB4 | Q15303 | 10/20 | 0.46 |
| ▸ | JAK3 | P52333 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | RGS12 | O14924 | 1/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
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 SCHEMBL6233294 | 1.00 | EGFR (0.55) | EGFRERBB2ERBB4JAK3MEN1 | |
| Trifluoroacetic Acid SCHEMBL6234736 | 0.89 | ERBB2 (0.57) | EGFRERBB2ERBB4JAK3MEN1 | |
| SCHEMBL6234739 | 0.85 | ERBB2 (0.65) | EGFRERBB2ERBB4 | |
| Trifluoroacetic Acid SCHEMBL6234612 | 0.85 | EGFR (0.65) | EGFRERBB2ERBB4 | |
| Trifluoroacetic Acid SCHEMBL6233448 | 0.85 | ERBB2 (0.59) | EGFRERBB2ERBB4JAK3MEN1 | |
| Trifluoroacetic Acid SCHEMBL6255556 | 0.85 | ERBB2 (0.62) | EGFRERBB2ERBB4MEN1RGS12 | |
| Trifluoroacetic Acid SCHEMBL6239475 | 0.85 | ERBB2 (0.62) | EGFRERBB2ERBB4MEN1RGS12 | |
| SCHEMBL6232961 | 0.83 | ERBB2 (0.51) | EGFRERBB2ERBB4JAK3MEN1 | |
| SCHEMBL6237155 | 0.83 | ERBB2 (0.57) | EGFRERBB2ERBB4JAK3MEN1 | |
| SCHEMBL6236402 | 0.83 | ERBB2 (0.59) | EGFRERBB2ERBB4JAK3MEN1 |
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-2005007083-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |