Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 7/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20102675 | 0.91 | HCRTR2 (0.47) | HCRTR2HCRTR1PDE2ACCR3CNR2 | |
| SCHEMBL15064844 | 0.81 | HCRTR1 (0.58) | HCRTR2HCRTR1PDE2ACCR3CNR2 | |
| SCHEMBL26124986 | 0.76 | HPGD (0.47) | HCRTR2KDM4EALDH1A1GAA | |
| SCHEMBL3570468 | 0.74 | HCRTR1 (0.49) | HCRTR1PDE2ACCR3ALDH1A1 | |
| SCHEMBL3570473 | 0.74 | HCRTR1 (0.49) | HCRTR1PDE2ACCR3ALDH1A1 | |
| SCHEMBL8986053 | 0.72 | CNR2 (0.48) | CNR2RAB9AALDH1A1MAPT | |
| SCHEMBL15064842 | 0.71 | HCRTR1 (0.53) | HCRTR2HCRTR1PDE2ACCR3CNR2 | |
| SCHEMBL16447712 | 0.71 | HCRTR2 (0.67) | HCRTR2HCRTR1 | |
| SCHEMBL17724431 | 0.70 | HCRTR2 (0.44) | HCRTR2HCRTR1RAB9A | |
| SCHEMBL26123795 | 0.70 | L3MBTL1 (0.50) | HCRTR2HCRTR1KDM4EALDH1A1 |
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-20180121597-A1 | Methods to Prepare and Employ Binding Site Models for Modulation of Phosphatase Activity and Selectivity Determination | ALLOSTA PHARMACEUTICALS (US) | 2018-05-03 | — | — | US | disclosed |