Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR1 | Q92633 | 1/20 | 0.58 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.58 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.55 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.53 |
| ▸ | ALPI | P09923 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | XIAP | P98170 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6375384 | 1.00 | LPAR1 (0.58) | LPAR1LPAR5MAPK14SLC7A5PTGS1 | |
| SCHEMBL1666599 | 0.81 | SLC7A5 (0.58) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL1768559 | 0.80 | SLC7A5 (0.70) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL515521 | 0.80 | SLC7A5 (0.70) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL29584001 | 0.80 | SLC7A5 (0.70) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL12379284 | 0.80 | SLC7A5 (0.70) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL21803814 | 0.80 | CARM1 (0.58) | LPAR1LPAR5SLC7A5PTGS1ALPI | |
| SCHEMBL21803855 | 0.80 | SLC7A5 (0.57) | LPAR1LPAR5SLC7A5PTGS1ALPI | |
| SCHEMBL21803813 | 0.80 | CARM1 (0.58) | LPAR1LPAR5SLC7A5PTGS1ALPI | |
| SCHEMBL21803854 | 0.80 | SLC7A5 (0.57) | LPAR1LPAR5SLC7A5PTGS1ALPI |
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 |