Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | ACACB | O00763 | 4/20 | 0.48 |
| ▸ | HRH2 | P25021 | 6/20 | 0.47 |
| ▸ | HRH1 | P35367 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14051416 | 1.00 | ITGB3 (0.56) | ITGB3ITGA2BATMACACBHRH2 | |
| SCHEMBL12801826 | 0.95 | ITGB3 (0.54) | ITGB3ITGA2BATMACACBHRH2 | |
| SCHEMBL21852432 | 0.90 | ACACB (0.51) | ITGB3ITGA2BATMACACBHDAC8 | |
| SCHEMBL21852417 | 0.90 | ACACB (0.51) | ITGB3ITGA2BATMACACBHDAC8 | |
| SCHEMBL27268862 | 0.90 | ACACB (0.51) | ITGB3ITGA2BATMACACBHRH2 | |
| SCHEMBL13367273 | 0.89 | ITGB3 (0.53) | ITGB3ITGA2BATMACACBHDAC8 | |
| SCHEMBL15764486 | 0.89 | ITGB3 (0.55) | ITGB3ITGA2BATMACACBHRH2 | |
| SCHEMBL27268361 | 0.89 | ACACB (0.50) | ITGB3ITGA2BATMACACBHRH2 | |
| SCHEMBL27269156 | 0.89 | ACACB (0.50) | ITGB3ITGA2BATMACACBHRH2 | |
| SCHEMBL27268088 | 0.86 | ITGB3 (0.50) | ITGB3ITGA2BATMACACBHDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006126074-A2 | HETEROCYCLIC DERIVATIVES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2006-11-30 | — | — | WO | disclosed |