Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.47 |
| ▸ | EGFR | P00533 | 4/20 | 0.44 |
| ▸ | ITK | Q08881 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.42 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.42 |
| ▸ | EPHA2 | P29317 | 4/20 | 0.41 |
| ▸ | KDR | P35968 | 5/20 | 0.40 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL877966 | 0.91 | ROCK2 (0.49) | ROCK2EGFRERBB2ERBB4KDR | |
| SCHEMBL877935 | 0.91 | ROCK2 (0.56) | ROCK2EGFRITKERBB2ERBB4 | |
| SCHEMBL877065 | 0.91 | EGFR (0.45) | ROCK2EGFRITKERBB2ERBB4 | |
| SCHEMBL876565 | 0.90 | PRKD3 (0.48) | ROCK2EGFRITKERBB2ERBB4 | |
| SCHEMBL877430 | 0.89 | ERBB2 (0.47) | ROCK2EGFRITKERBB2ERBB4 | |
| SCHEMBL882747 | 0.86 | ROCK2 (0.47) | ROCK2EGFRITKERBB2ERBB4 | |
| SCHEMBL877683 | 0.86 | EGFR (0.44) | ROCK2EGFRITKERBB2ERBB4 | |
| SCHEMBL10220363 | 0.86 | ROCK2 (0.56) | ROCK2EGFRITKERBB2ERBB4 | |
| SCHEMBL878170 | 0.85 | EGFR (0.47) | ROCK2EGFRITKROCK1CHEK2 | |
| SCHEMBL3793035 | 0.84 | ROCK2 (0.63) | ROCK2EGFRITKEPHA2KDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012040499-A2 | METABOLIC INHIBITORS | SURFACE LOGIX, INC. (US) | 2012-03-29 | — | — | WO | disclosed |
| WO-2008054599-A2 | RHO KINASE INHIBITORS | SURFACE LOGIX, INC. (US) | 2008-05-08 | — | — | WO | disclosed |
| 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 |