Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.51 |
| ▸ | ALPI | P09923 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | XIAP | P98170 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6368433 | 1.00 | PTGS1 (0.51) | PTGS1SLC7A5ALPIPKMXIAP | |
| SCHEMBL6367544 | 0.87 | ALDH1A1 (0.60) | PTGS1PTPN1LTA4HPTGS2POLB | |
| Hydrochloric Acid SCHEMBL6367537 | 0.86 | ALDH1A1 (0.61) | PTGS1PTPN1LTA4HPTGS2POLB | |
| SCHEMBL12730111 | 0.84 | MEN1 (0.60) | POLBMEN1KMT2AALDH1A1NR1I2 | |
| SCHEMBL6933238 | 0.82 | PTGS1 (0.38) | PTGS1SLC7A5ALPIPKMXIAP | |
| SCHEMBL12209353 | 0.81 | KDM4A (0.68) | PTGS1SLC7A5ALPIPKMXIAP | |
| SCHEMBL595260 | 0.81 | KDM4A (0.68) | PTGS1SLC7A5ALPIPKMXIAP | |
| SCHEMBL5201443 | 0.80 | SRD5A2 (0.52) | PTGS1LTA4HPTGS2POLBSENP8 | |
| SCHEMBL1666599 | 0.80 | SLC7A5 (0.58) | PTGS1SLC7A5ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL29043595 | 0.80 | KDM4A (0.67) | PTGS1SLC7A5ALPIPKMXIAP |
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 |