Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.41 |
| ▸ | HPSE | Q9Y251 | 9/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL1509427 | 0.91 | ABCG2 (0.40) | ABCG2ABCB1HPSEGSK3BCARM1 | |
| SCHEMBL12834002 | 0.89 | ABCB1 (0.45) | ABCG2ABCB1HPSEGSK3BCARM1 | |
| SCHEMBL1509459 | 0.88 | ABCG2 (0.42) | ABCG2ABCB1HPSEGSK3BADORA2A | |
| SCHEMBL12833550 | 0.88 | ABCB1 (0.44) | ABCG2ABCB1HPSEGSK3BCARM1 | |
| SCHEMBL14090449 | 0.88 | ABCG2 (0.44) | ABCG2ABCB1HPSEGSK3BCARM1 | |
| SCHEMBL12833673 | 0.87 | ABCB1 (0.43) | ABCG2ABCB1HPSEADORA2A | |
| SCHEMBL1509641 | 0.86 | DRD2 (0.43) | ABCG2ABCB1HPSEGSK3BADORA2A | |
| SCHEMBL14090443 | 0.86 | ABCB1 (0.43) | ABCG2ABCB1HPSEGSK3BCARM1 | |
| SCHEMBL1509498 | 0.84 | ABCG2 (0.48) | ABCG2ABCB1HPSECARM1 | |
| SCHEMBL14090416 | 0.83 | DDR2 (0.49) | HPSE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2298770-A1 | Heterocyclic compounds as TrkA modulators | ChemBridge Corporation (US) | 2011-03-23 | — | — | EP | disclosed |