Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 4/20 | 0.62 |
| ▸ | KDR | P35968 | 6/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 7/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | RIPK3 | Q9Y572 | 5/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 4/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.41 |
| ▸ | TEK | Q02763 | 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 | |
|---|---|---|---|---|
| SCHEMBL2851381 | 0.87 | BRAF (0.77) | BRAFKDRRIPK3RIPK1PDGFRB | |
| SCHEMBL2862242 | 0.86 | BRAF (0.47) | BRAFKDRDYRK1ANPC1RAB9A | |
| SCHEMBL2855636 | 0.85 | BRAF (0.54) | BRAFKDRDYRK1ANPC1RAB9A | |
| SCHEMBL2861678 | 0.84 | BRAF (0.53) | BRAFKDRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2851274 | 0.82 | BRAF (0.45) | BRAFKDRDYRK1ANPC1RAB9A | |
| SCHEMBL13184949 | 0.81 | KDR (0.61) | BRAFKDRDYRK1ARIPK3RIPK1 | |
| SCHEMBL3512826 | 0.81 | BRAF (0.53) | BRAFKDRDYRK1ANPC1RAB9A | |
| SCHEMBL13185010 | 0.80 | BRAF (0.54) | BRAFKDRDYRK1ANPC1RAB9A | |
| SCHEMBL13185065 | 0.79 | KDR (0.62) | BRAFKDRDYRK1ANPC1RAB9A | |
| SCHEMBL2855668 | 0.79 | KDR (0.73) | BRAFKDRDYRK1ARIPK3RIPK1 |
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-2184285-B1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-11-04 | — | — | EP | disclosed |
| EP-2184285-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-05-12 | — | — | EP | disclosed |