Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1638872 | 0.81 | CTSL (0.35) | CTSLCTSBCTSSCTSKLTA4H | |
| SCHEMBL27280040 | 0.78 | CTSL (0.35) | CTSLCTSBCTSSCTSKLTA4H | |
| SCHEMBL9786308 | 0.77 | REN (0.38) | CTSLCTSBCTSSCTSKLTA4H | |
| SCHEMBL9786304 | 0.77 | REN (0.38) | CTSLCTSBCTSSCTSKLTA4H | |
| SCHEMBL1639188 | 0.75 | MAPT (0.43) | CTSLCTSBCTSSCTSKBMPR1B | |
| SCHEMBL9786119 | 0.75 | MAPT (0.43) | CTSLCTSBCTSSCTSKBMPR1B | |
| SCHEMBL28841712 | 0.75 | LTA4H (0.55) | CTSLCTSBCTSSCTSKLTA4H | |
| SCHEMBL9786395 | 0.75 | MAOB (0.35) | CTSLCTSBCTSSCTSKLTA4H | |
| SCHEMBL9786396 | 0.75 | MAOB (0.35) | CTSLCTSBCTSSCTSKLTA4H | |
| SCHEMBL3697306 | 0.72 | PRCP (0.39) | BMPR1BPDGFRBKDRACVR1BTGFBR1 |
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-1998025617-A1 | SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |