Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.47 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 7/20 | 0.32 |
| ▸ | CTSS | P25774 | 8/20 | 0.32 |
| ▸ | CTSB | P07858 | 4/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4718663 | 0.83 | CTSK (0.65) | CTSKCTSLCTSSCTSB | |
| SCHEMBL7434589 | 0.65 | CTSK (0.57) | CTSKCTSLCTSSCTSB | |
| SCHEMBL4714573 | 0.64 | CTSK (1.00) | CTSKCTSLCTSSCTSB | |
| SCHEMBL4715211 | 0.63 | CTSK (0.85) | CTSKCTSLCTSSCTSB | |
| SCHEMBL13379959 | 0.61 | UCHL1 (0.41) | UCHL1MEN1KMT2A | |
| SCHEMBL7439178 | 0.60 | ALDH1A1 (0.32) | UCHL1MEN1KMT2A | |
| SCHEMBL13746373 | 0.59 | MEN1 (0.40) | UCHL1MEN1KMT2A | |
| SCHEMBL4714808 | 0.55 | CTSK (0.66) | CTSKCTSLCTSSCTSB | |
| SCHEMBL11991384 | 0.54 | MEN1 (0.47) | MEN1KMT2A | |
| SCHEMBL21229023 | 0.53 | MEN1 (0.57) | MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001049288-A9 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-10-25 | — | — | WO | disclosed |