Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | GRN | P28799 | 1/20 | 0.46 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.43 |
| ▸ | GPR132 | Q9UNW8 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7332048 | 0.80 | ITGB2 (0.50) | PYGLEGLN1MCHR1CA2GRN | |
| SCHEMBL4560488 | 0.80 | EGLN1 (0.49) | EGLN1CTSKMCHR1HDAC3HDAC1 | |
| SCHEMBL4559801 | 0.79 | EGLN1 (0.48) | EGLN1MCHR1HDAC3HDAC1HDAC2 | |
| SCHEMBL5927478 | 0.78 | MME (0.55) | EGLN1MME | |
| SCHEMBL5926432 | 0.78 | MEN1 (0.60) | EGLN1GRNSORT1 | |
| SCHEMBL4859030 | 0.76 | PTPN1 (0.55) | PYGLEGLN1CA2MMEITGA4 | |
| SCHEMBL10668269 | 0.76 | CA2 (0.68) | CYP2C9CA2MME | |
| SCHEMBL16307678 | 0.76 | HDAC3 (0.57) | EGLN1HDAC3HDAC1HDAC2 | |
| SCHEMBL186935 | 0.76 | CA2 (0.68) | CYP2C9CA2MME | |
| SCHEMBL186937 | 0.76 | CA2 (0.68) | CYP2C9CA2MME |
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 5 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 |
| US-6903075-B1 | Heterocyclic amide compounds as cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-06-07 | — | — | US | 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 |