Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL6252192 | 0.89 | SRD5A2 (0.47) | SRD5A2CTSBTSHRUSP30 | |
| SCHEMBL6254524 | 0.81 | SRD5A2 (0.38) | SRD5A2TSHRSMN1; SMN2 | |
| SCHEMBL6252227 | 0.81 | PIK3CD (0.36) | CYP1A2TSHRCYP2C19SMN1; SMN2SCN5A | |
| SCHEMBL5924667 | 0.77 | CTSB (0.56) | CTSBTAS1R3TAS1R1CTSLCTSS | |
| SCHEMBL6251138 | 0.76 | GRIK1 (0.38) | — | |
| SCHEMBL6255637 | 0.76 | LPAR1 (0.31) | CTSBALDH1A1MAPT | |
| SCHEMBL7452320 | 0.74 | F2 (0.35) | ALDH1A1CTSSCTSK | |
| SCHEMBL7447953 | 0.73 | NAMPT (0.43) | CTSBSMN1; SMN2ALDH1A1CTSLCTSS | |
| SCHEMBL6257637 | 0.72 | NAMPT (0.33) | CTSBALDH1A1 | |
| SCHEMBL5742270 | 0.70 | CYP3A4 (0.36) | CTSBCYP1A2TSHRCYP2C19CTSL |
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 |