Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1748476 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HSD17B10KDM4EGAAMEN1 | |
| SCHEMBL3004207 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HSD17B10KDM4EGAAMEN1 | |
| SCHEMBL6139046 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HSD17B10KDM4EGAAMEN1 | |
| SCHEMBL7284372 | 0.86 | GAA (0.47) | ALDH1A1HSD17B10KDM4EGAAMEN1 | |
| SCHEMBL28546281 | 0.85 | KDM4E (0.45) | ALDH1A1HSD17B10KDM4EMEN1NPC1 | |
| SCHEMBL1471745 | 0.85 | KDM4E (0.45) | ALDH1A1HSD17B10KDM4EMEN1NPC1 | |
| SCHEMBL27702983 | 0.85 | KDM4E (0.45) | ALDH1A1HSD17B10KDM4EMEN1NPC1 | |
| SCHEMBL7453154 | 0.83 | MEN1 (0.47) | ALDH1A1HSD17B10KDM4EMEN1NPC1 | |
| SCHEMBL2489047 | 0.83 | MEN1 (0.47) | ALDH1A1HSD17B10KDM4EMEN1NPC1 | |
| SCHEMBL3008670 | 0.81 | AKT1 (0.44) | GAAMEN1NPC1RAB9AKMT2A |
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 |