Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.47 |
| ▸ | EGFR | P00533 | 3/20 | 0.45 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.41 |
| ▸ | KDR | P35968 | 9/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 9/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 9/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 9/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 9/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 9/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL877936 | 0.91 | ROCK2 (0.47) | ROCK2ERBB2EGFRERBB4PRKD3 | |
| SCHEMBL877965 | 0.90 | ROCK2 (0.59) | ROCK2ERBB2EGFRERBB4PRKD3 | |
| SCHEMBL877821 | 0.90 | ROCK2 (0.45) | ROCK2ERBB2EGFRERBB4PRKD3 | |
| SCHEMBL1724776 | 0.90 | ROCK2 (0.44) | ROCK2ERBB2EGFRERBB4PRKD3 | |
| SCHEMBL877014 | 0.90 | PRKD3 (0.51) | ROCK2ERBB2EGFRERBB4PRKD3 | |
| SCHEMBL877021 | 0.89 | ERBB2 (0.51) | ROCK2ERBB2EGFRERBB4AURKB | |
| SCHEMBL877263 | 0.85 | ERBB2 (0.47) | ROCK2ERBB2EGFRERBB4MET | |
| SCHEMBL877550 | 0.84 | SYK (0.43) | ROCK2PRKD3METAURKBPLK4 | |
| SCHEMBL1723523 | 0.83 | ROCK2 (0.66) | ROCK2EGFRPRKD3METKDR | |
| SCHEMBL878171 | 0.83 | FGFR1 (0.52) | ROCK2ERBB2EGFRERBB4PRKD3 |
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 |