Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 12/20 | 0.44 |
| ▸ | RAF1 | P04049 | 3/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | BCR | P11274 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2853481 | 0.91 | EPHX2 (0.41) | METABL1BCREPHX2NPC1 | |
| SCHEMBL12892609 | 0.86 | BRAF (0.49) | METRAF1ABL1BCRMAP4K4 | |
| SCHEMBL2855433 | 0.86 | ALDH1A1 (0.40) | KDREPHX2NPC1ALDH1A1LMNA | |
| SCHEMBL2857507 | 0.85 | BRAF (0.39) | METABL1BCRKDREPHX2 | |
| SCHEMBL14949669 | 0.82 | BRAF (0.55) | METABL1BCRKDR | |
| SCHEMBL2864471 | 0.80 | BRAF (0.37) | METABL1BCRKDREPHX2 | |
| SCHEMBL2861313 | 0.80 | KDR (0.49) | KDREPHX2NPC1ALDH1A1LMNA | |
| SCHEMBL1259624 | 0.79 | BRAF (0.36) | METABL1BCRMAP4K4 | |
| SCHEMBL2861678 | 0.78 | BRAF (0.53) | KDRMAP4K4NPC1RAB9A | |
| SCHEMBL4314966 | 0.77 | MEN1 (0.53) | METRAF1MAPK3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445509-B2 | Fused heterocyclic derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-21 | — | — | US | disclosed |