Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | XPO1 | O14980 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3662188 | 0.82 | KIF11 (0.52) | CES2KIF11ALDH1A1 | |
| SCHEMBL4251643 | 0.76 | MAPT (0.44) | MAPTRAPGEF4CES2XPO1IDO1 | |
| SCHEMBL23084918 | 0.75 | CES2 (0.42) | MAPTRAPGEF4CES2XPO1IDO1 | |
| SCHEMBL440959 | 0.71 | CES2 (0.58) | MAPTRAPGEF4CES2XPO1IDO1 | |
| SCHEMBL26504576 | 0.70 | RAPGEF4 (0.47) | MAPTRAPGEF4CES2XPO1IDO1 | |
| SCHEMBL19426782 | 0.70 | RAPGEF4 (0.47) | MAPTRAPGEF4CES2XPO1IDO1 | |
| SCHEMBL16234266 | 0.69 | CES2 (0.46) | MAPTRAPGEF4CES2XPO1IDO1 | |
| SCHEMBL107119 | 0.69 | RAPGEF4 (0.56) | MAPTRAPGEF4CES2XPO1IDO1 | |
| SCHEMBL22861023 | 0.69 | GABRB2 (0.52) | MAPTRAPGEF4CES2XPO1IDO1 | |
| SCHEMBL1104677 | 0.69 | GABRB2 (0.52) | MAPTRAPGEF4CES2XPO1IDO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1638935-A1 | NK1 ANTAGONIST | Pfizer Products Inc. (US) | 2006-03-29 | — | — | EP | disclosed |
| WO-2004110996-A1 | NK1 ANTAGONIST | PFIZER PRODUCTS INC. (US) | 2004-12-23 | — | — | WO | disclosed |