Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 3/20 | 0.37 |
| ▸ | RXRG | P48443 | 3/20 | 0.37 |
| ▸ | RXRB | P28702 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6653912 | 0.98 | CES2 (0.44) | CES2RPS6KA3JAK3GAARXRA | |
| SCHEMBL20569584 | 0.84 | P2RX1 (0.41) | GAAMAPTP2RX1LMNA | |
| SCHEMBL6553318 | 0.82 | CES2 (0.47) | CES2RPS6KA3JAK3RXRARXRG | |
| SCHEMBL8024378 | 0.81 | CES2 (0.45) | CES2PTPN1 | |
| SCHEMBL6553779 | 0.77 | NOTUM (0.41) | CES2GAAMAPTTAS2R14GPR35 | |
| SCHEMBL26328057 | 0.72 | TAS2R14 (0.40) | CES2RXRARXRGRXRBMAPT | |
| SCHEMBL16503534 | 0.69 | CES2 (0.35) | CES2MAPTTAS2R14 | |
| SCHEMBL7997120 | 0.69 | TAS2R14 (0.47) | CES2MAPTITGB3ITGAVTAS2R14 | |
| SCHEMBL5540303 | 0.69 | CES2 (0.38) | CES2RPS6KA3JAK3RXRARXRG | |
| SCHEMBL627995 | 0.69 | CES2 (0.67) | CES2RPS6KA3JAK3GAARXRA |
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 4 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 |
| EP-1472256-A1 | PIPERIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003066635-A1 | PIPERIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2003-08-14 | — | — | WO | disclosed |