Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 4/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.31 |
| ▸ | CAMK2A | Q9UQM7 | 2/20 | 0.31 |
| ▸ | CAMK2G | Q13555 | 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 | |
|---|---|---|---|---|
| SCHEMBL3113683 | 0.86 | CTSC (0.47) | CTSCSCN4AKMT2AADAMTS5 | |
| SCHEMBL3113689 | 0.86 | CTSC (0.47) | CTSCSCN4AKMT2AADAMTS5 | |
| SCHEMBL19412232 | 0.81 | CTSC (0.39) | CTSCSCN4AKMT2AHTR6ADAMTS5 | |
| SCHEMBL27565204 | 0.76 | CTSC (0.47) | CTSCSCN4AADAMTS5 | |
| SCHEMBL19412130 | 0.76 | CTSC (0.37) | CTSCSCN4AKMT2A | |
| SCHEMBL19412214 | 0.76 | CTSC (0.37) | CTSCSCN4AHTR6 | |
| SCHEMBL7069746 | 0.74 | ADAMTS5 (0.46) | KMT2AKEAP1NFE2L2ADAMTS5 | |
| SCHEMBL16598348 | 0.73 | ITGB1 (0.39) | CTSCKMT2A | |
| SCHEMBL19412253 | 0.72 | CTSC (0.34) | CTSCSCN4A | |
| SCHEMBL19412225 | 0.71 | PRCP (0.34) | CTSCSCN4A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001764-A4 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1001764-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999064395-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-12-16 | — | — | WO | disclosed |
| WO-1998053814-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | disclosed |