Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | CCNH | P51946 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4447590 | 0.86 | BACE1 (0.45) | BACE1MAPTLMNAMAPK1THRB | |
| SCHEMBL4137640 | 0.85 | BACE1 (0.43) | BACE1MAPTLMNAMAPK1THRB | |
| SCHEMBL4441698 | 0.84 | BACE1 (0.46) | BACE1MAPTLMNAMAPK1THRB | |
| SCHEMBL4144493 | 0.83 | MAPT (0.46) | BACE1MAPTLMNAMAPK1THRB | |
| SCHEMBL28811994 | 0.83 | BACE1 (0.42) | BACE1MAPTLMNAMAPK1THRB | |
| SCHEMBL4134723 | 0.82 | BCHE (0.46) | BACE1MAPTLMNAMAPK1THRB | |
| SCHEMBL4134689 | 0.81 | HTR2C (0.48) | BACE1MAPTLMNAMAPK1DRD2 | |
| SCHEMBL4442504 | 0.80 | BACE1 (0.43) | BACE1MAPTLMNAMAPK1THRB | |
| SCHEMBL4139048 | 0.80 | MOK (0.47) | LRRK2 | |
| SCHEMBL4441318 | 0.80 | BACE1 (0.43) | BACE1MAPTLMNAMAPK1THRB |
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-2134695-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | Exelixis, Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | WO | disclosed |