Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 2/20 | 0.50 |
| ▸ | PNMT | P11086 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | NR2E1 | Q9Y466 | 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 | |
|---|---|---|---|---|
| SCHEMBL14012985 | 0.77 | CD44 (0.53) | CD44PNMTMAOBPRCPHTR2C | |
| SCHEMBL5599090 | 0.77 | CD44 (0.53) | CD44PNMTMAOBPRCP | |
| Hydrochloric Acid SCHEMBL16268397 | 0.75 | CD44 (0.51) | CD44PNMTMAOBPRCP | |
| Hydrochloric Acid SCHEMBL16269628 | 0.75 | CD44 (0.51) | CD44PNMTMAOBPRCP | |
| SCHEMBL30768143 | 0.75 | ALDH1A1 (0.57) | CD44KDM4E | |
| SCHEMBL16268958 | 0.75 | ALDH1A1 (0.57) | CD44KDM4E | |
| Hydrochloric Acid SCHEMBL16268955 | 0.74 | ALDH1A1 (0.56) | CD44 | |
| SCHEMBL330124 | 0.73 | CD44 (0.56) | CD44PNMTMAOBPRCPCD274 | |
| SCHEMBL12942082 | 0.73 | CD44 (0.56) | CD44PNMTMAOBPRCPHTR2C | |
| SCHEMBL27840575 | 0.71 | CD44 (0.46) | CD44PNMTMAOBPRCPHTR2C |
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-2018093695-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |