Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 2/20 | 0.54 |
| ▸ | CTSA | P10619 | 2/20 | 0.51 |
| ▸ | EEF2K | O00418 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4011433 | 0.85 | CYP26A1 (0.58) | CYP26A1CTSAEEF2KHDAC4HDAC7 | |
| SCHEMBL3870141 | 0.83 | HIF1A (0.49) | CYP26A1KDM4E | |
| SCHEMBL2300538 | 0.81 | ALDH1A1 (0.59) | CYP26A1EEF2K | |
| SCHEMBL1144429 | 0.81 | ALDH1A1 (0.59) | CYP26A1EEF2K | |
| SCHEMBL167045 | 0.81 | ALDH1A1 (0.59) | CYP26A1EEF2K | |
| SCHEMBL13851783 | 0.81 | CTSA (0.51) | CYP26A1CTSAFFAR1SLC6A4 | |
| SCHEMBL13485380 | 0.80 | HDAC4 (0.45) | HDAC4HDAC7HDAC5CNR2PGR | |
| SCHEMBL5149908 | 0.80 | HDAC4 (0.51) | CYP26A1CTSAEEF2KHDAC4HDAC7 | |
| SCHEMBL22303914 | 0.79 | FFAR1 (0.49) | CYP26A1EEF2KHDAC4HDAC7HDAC5 | |
| SCHEMBL12883017 | 0.79 | FFAR1 (0.49) | CYP26A1EEF2KHDAC4HDAC7HDAC5 |
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-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |