Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | FAAH | O00519 | 5/20 | 0.45 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6472186 | 0.80 | KMT2A (0.38) | CYP2C19CES1FAAH | |
| SCHEMBL24095868 | 0.76 | CES1 (0.36) | CYP2C19CES1FAAHNCEH1HDAC3 | |
| SCHEMBL30511427 | 0.76 | CES1 (0.36) | CYP2C19CES1FAAHNCEH1HDAC3 | |
| SCHEMBL7038216 | 0.74 | L3MBTL1 (0.52) | CYP2C19CES1EPHX1HTTLMNA | |
| SCHEMBL5955880 | 0.72 | FAAH (0.54) | CES1FAAHNCEH1HDAC3HDAC4 | |
| SCHEMBL1520271 | 0.71 | GAA (0.54) | CYP2C19EPHX1GAAHTTLMNA | |
| SCHEMBL3353282 | 0.71 | EPHX1 (0.63) | CYP2C19EPHX1GAAHTTLMNA | |
| Hydrochloric Acid SCHEMBL3353959 | 0.70 | EPHX1 (0.61) | CYP2C19EPHX1GAAHTTLMNA | |
| SCHEMBL13544797 | 0.69 | EPHX1 (0.50) | CYP2C19EPHX1GAAHTTLMNA | |
| SCHEMBL30281332 | 0.69 | CES1 (0.45) | CES1FAAHNCEH1HDAC3HDAC4 |
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-1515726-A1 | MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2005-03-23 | — | — | EP | disclosed |
| WO-2004002491-A1 | MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2004-01-08 | — | — | WO | disclosed |