Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.80 |
| ▸ | KDR | P35968 | 11/20 | 0.80 |
| ▸ | FGFR1 | P11362 | 10/20 | 0.80 |
| ▸ | FLT1 | P17948 | 10/20 | 0.80 |
| ▸ | FLT4 | P35916 | 10/20 | 0.80 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.80 |
| ▸ | TEK | Q02763 | 2/20 | 0.80 |
| ▸ | SRC | P12931 | 2/20 | 0.80 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.80 |
| ▸ | PLK4 | O00444 | 1/20 | 0.80 |
| ▸ | CIT | O14578 | 1/20 | 0.80 |
| ▸ | GAK | O14976 | 1/20 | 0.80 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.80 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.80 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.80 |
| ▸ | STK10 | O94804 | 1/20 | 0.80 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.80 |
| ▸ | ABL1 | P00519 | 1/20 | 0.80 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.80 |
| ▸ | LCK | P06239 | 1/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL12534441 | 0.91 | EGFR (0.85) | EGFRKDRFGFR1FLT1FLT4 | |
| Vandetanib SCHEMBL29352879 | 0.89 | EGFR (1.00) | EGFRKDRFGFR1FLT1FLT4 | |
| Vandetanib SCHEMBL9044 | 0.89 | EGFR (1.00) | EGFRKDRFGFR1FLT1FLT4 | |
| Vandetanib SCHEMBL28224661 | 0.89 | EGFR (1.00) | EGFRKDRFGFR1FLT1FLT4 | |
| Vandetanib SCHEMBL1614458 | 0.88 | EGFR (1.00) | EGFRKDRFGFR1FLT1FLT4 | |
| Vandetanib SCHEMBL4637084 | 0.88 | EGFR (0.98) | EGFRKDRFGFR1FLT1FLT4 | |
| SCHEMBL18211400 | 0.86 | EGFR (0.82) | EGFRKDRFGFR1FLT1FLT4 | |
| SCHEMBL2136770 | 0.85 | EGFR (1.00) | EGFRKDRFGFR1FLT1FLT4 | |
| SCHEMBL21473563 | 0.85 | EGFR (0.81) | EGFRKDRFGFR1FLT1FLT4 | |
| SCHEMBL2137353 | 0.84 | EGFR (0.98) | EGFRKDRFGFR1FLT1FLT4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140032198-A1 | APPLICATION OF MULTIDIMENSIONAL MATRIX FOR DRUG MOLECULAS DESIGN AND THE METHODOLOGIES FOR DRUG MOLECULAR DESIGN | YAN JINGBO (CN) | 2014-01-30 | — | — | US | disclosed |
| US-20140032198-A1 | APPLICATION OF MULTIDIMENSIONAL MATRIX FOR DRUG MOLECULAS DESIGN AND THE METHODOLOGIES FOR DRUG MOLECULAR DESIGN | YAN JINGBO (CN) | 2014-01-30 | — | — | US | disclosed |