Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.63 |
| ▸ | NPC1 | O15118 | 5/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3663783 | 0.88 | RAB9A (0.64) | RAB9ASMN1; SMN2NPC1LMNAPOLB | |
| SCHEMBL11822749 | 0.83 | SMN1; SMN2 (0.56) | RAB9ASMN1; SMN2NPC1LMNAPOLB | |
| SCHEMBL15738570 | 0.81 | SMN1; SMN2 (0.92) | RAB9ASMN1; SMN2NPC1LMNAPOLB | |
| SCHEMBL28335649 | 0.81 | NPC1 (0.69) | RAB9ASMN1; SMN2NPC1LMNAPOLB | |
| SCHEMBL5224263 | 0.81 | SMN1; SMN2 (0.55) | RAB9ASMN1; SMN2NPC1LMNAPOLB | |
| SCHEMBL11820462 | 0.81 | NPC1 (0.60) | RAB9ASMN1; SMN2NPC1LMNAASAH1 | |
| SCHEMBL3630691 | 0.81 | SMN1; SMN2 (0.51) | RAB9ASMN1; SMN2NPC1LMNAPOLB | |
| SCHEMBL2455891 | 0.78 | HRH4 (0.48) | RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL16798314 | 0.77 | SYK (0.48) | CTSK | |
| SCHEMBL8905867 | 0.77 | HDAC3 (0.51) | POLBASAH1NPSR1ALDH1A1 |
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 |