Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 16/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL877185 | 0.92 | EGFR (0.44) | ABCG2ROCK2ABCB1ABCC1ERBB2 | |
| SCHEMBL878022 | 0.91 | ABCG2 (0.45) | ABCG2ABCB1ABCC1ERBB2MEN1 | |
| SCHEMBL877263 | 0.89 | ERBB2 (0.47) | ABCG2ROCK2ABCB1ABCC1ERBB2 | |
| SCHEMBL877621 | 0.87 | ROCK2 (0.45) | ABCG2ROCK2ABCB1ABCC1ERBB2 | |
| SCHEMBL877821 | 0.84 | ROCK2 (0.45) | ABCG2ROCK2ABCB1ABCC1ERBB2 | |
| SCHEMBL876652 | 0.84 | ABCG2 (0.57) | ABCG2ABCB1MEN1POLBMAPT | |
| SCHEMBL876653 | 0.84 | ABCG2 (0.57) | ABCG2ABCB1MEN1POLBMAPT | |
| SCHEMBL877259 | 0.83 | EGFR (0.45) | ABCG2ROCK2ABCB1ABCC1ERBB2 | |
| SCHEMBL877820 | 0.83 | ROCK2 (0.54) | ABCG2ROCK2ERBB2MEN1MAPT | |
| SCHEMBL877683 | 0.82 | EGFR (0.44) | ABCG2ROCK2ABCB1ABCC1ERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1865958-A2 | PHARMACOKINETICALLY IMPROVED COMPOUNDS | Surface Logix, Inc. (US) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006105081-A2 | PHARMACOKINETICALLY IMPROVED COMPOUNDS | SURFACE LOGIX, INC. (US) | 2006-10-05 | — | — | WO | disclosed |