Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 6/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5503390 | 0.86 | CTSA (0.47) | FAAH | |
| SCHEMBL6251048 | 0.84 | FAAH (0.41) | FAAHLMNASMN1; SMN2L3MBTL1MAPK1 | |
| SCHEMBL5499665 | 0.82 | CTSK (0.44) | FAAHCTSKRAB9AHPGDLMNA | |
| SCHEMBL5085127 | 0.82 | CYP26A1 (0.49) | FAAHRAB9AHPGDLMNASMN1; SMN2 | |
| SCHEMBL844472 | 0.82 | SMN1; SMN2 (0.57) | FAAHCTSKRAB9AHPGDLMNA | |
| SCHEMBL14040614 | 0.82 | SMN1; SMN2 (0.57) | FAAHCTSKRAB9AHPGDLMNA | |
| SCHEMBL3663293 | 0.81 | FAAH (0.58) | FAAHRAB9AHPGDLMNASMN1; SMN2 | |
| SCHEMBL16680263 | 0.81 | ITGB3 (0.45) | FAAHRAB9AHPGDLMNASMN1; SMN2 | |
| SCHEMBL5605065 | 0.80 | CASP1 (0.50) | CTSK | |
| SCHEMBL1721258 | 0.79 | SMN1; SMN2 (0.39) | FAAHCTSKRAB9AHPGDLMNA |
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-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |