Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | APP | P05067 | 5/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | FABP2 | P12104 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18203128 | 1.00 | CTSK (0.43) | CTSKAPPAKR1C3AKR1C2CYP2C19 | |
| SCHEMBL3676793 | 1.00 | CTSK (0.43) | CTSKAPPAKR1C3AKR1C2CYP2C19 | |
| SCHEMBL3679395 | 1.00 | CTSK (0.43) | CTSKAPPAKR1C3AKR1C2CYP2C19 | |
| SCHEMBL3679142 | 1.00 | CTSK (0.43) | CTSKAPPAKR1C3AKR1C2CYP2C19 | |
| SCHEMBL18203132 | 0.91 | CTSK (0.43) | CTSKAPPAKR1C3AKR1C2 | |
| SCHEMBL3684241 | 0.90 | CTSK (0.44) | CTSKAPPAKR1C3AKR1C2CYP2C19 | |
| SCHEMBL3685855 | 0.90 | CTSK (0.52) | CTSK | |
| SCHEMBL3676440 | 0.90 | CTSK (0.52) | CTSK | |
| SCHEMBL3672970 | 0.90 | CTSK (0.52) | CTSK | |
| SCHEMBL3676601 | 0.88 | CTSK (0.43) | CTSKAKR1C3AKR1C2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1694647-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK CANADA INC (CA) | 2016-11-09 | — | — | EP | disclosed |