Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.47 |
| ▸ | ADH5 | P11766 | 2/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 2/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6254524 | 0.92 | SRD5A2 (0.38) | SRD5A2RARBNR1H4PRSS12XDH | |
| SCHEMBL6251138 | 0.87 | GRIK1 (0.38) | ADRB1ADRB3RARBXDHGRIN2D | |
| SCHEMBL6251533 | 0.84 | SRD5A2 (0.37) | SRD5A2ADRB1ADRB3CTSBTSHR | |
| SCHEMBL6255637 | 0.80 | LPAR1 (0.31) | CTSBXDHKDM4E | |
| SCHEMBL7452320 | 0.77 | F2 (0.35) | — | |
| SCHEMBL7447953 | 0.75 | NAMPT (0.43) | CTSB | |
| SCHEMBL5924662 | 0.75 | CTSB (0.60) | SRD5A2CTSB | |
| SCHEMBL5924665 | 0.75 | CTSB (0.60) | SRD5A2CTSB | |
| SCHEMBL6257637 | 0.74 | NAMPT (0.33) | CTSB | |
| SCHEMBL6252227 | 0.70 | PIK3CD (0.36) | NR1H4TSHR |
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 |