Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | INSR | P06213 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL4703746 | 0.92 | OPRM1 (0.37) | HRH3CTSLCTSBCTSSCTSK | |
| SCHEMBL4701956 | 0.82 | SPHK1 (0.39) | HRH3GRM2CTSLCTSBCTSS | |
| SCHEMBL4704896 | 0.82 | CTSK (0.34) | CTSLCTSBCTSSCTSK | |
| SCHEMBL4704688 | 0.82 | CTSL (0.33) | HRH3CTSLCTSBCTSSCTSK | |
| SCHEMBL4699567 | 0.81 | CTSK (0.44) | GRM2CTSLCTSBCTSSCTSK | |
| SCHEMBL4703317 | 0.81 | HRH3 (0.35) | HRH3CTSLCTSBCTSSCTSK | |
| SCHEMBL4703612 | 0.80 | CTSS (0.34) | CTSLCTSBCTSSCTSK | |
| SCHEMBL4703525 | 0.80 | AGTR2 (0.40) | GRM2 | |
| SCHEMBL4701830 | 0.80 | CTSK (0.37) | CTSLCTSBCTSSCTSK | |
| SCHEMBL4703639 | 0.80 | CTSK (0.36) | CTSLCTSBCTSSCTSK |
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-1372655-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-10-01 | — | — | EP | disclosed |