Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CLK3 | P49761 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.36 |
| ▸ | HPSE | Q9Y251 | 8/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14090392 | 0.95 | HDAC6 (0.40) | ABCB1ABCG2ADORA2ACLK2CLK3 | |
| SCHEMBL12834518 | 0.91 | ABCB1 (0.39) | ABCB1ABCG2ADORA2ACLK2CLK3 | |
| SCHEMBL14090393 | 0.88 | ABCG2 (0.43) | ABCB1ABCG2ADORA2AHPSEHDAC3 | |
| SCHEMBL1509560 | 0.86 | ABCG2 (0.41) | ABCB1ABCG2ADORA2AHPSEHDAC3 | |
| SCHEMBL12833673 | 0.84 | ABCB1 (0.43) | ABCB1ABCG2ADORA2AHPSEHDAC3 | |
| SCHEMBL1509459 | 0.84 | ABCG2 (0.42) | ABCB1ABCG2ADORA2AHPSEHDAC3 | |
| SCHEMBL12833553 | 0.83 | HDAC6 (0.50) | ABCB1ABCG2ADORA2ADDR2HPSE | |
| SCHEMBL14090449 | 0.80 | ABCG2 (0.44) | ABCB1ABCG2ADORA2AHPSE | |
| SCHEMBL14090399 | 0.79 | KIT (0.43) | ABCB1ABCG2ADORA2ADDR2HPSE | |
| SCHEMBL14531512 | 0.79 | ABCG2 (0.39) | ABCB1ABCG2ADORA2ADDR2HPSE |
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 |