Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6717574 | 0.83 | TSHR (0.49) | LTB4R2KDM4EHSD17B10ALDH1A1MAPT | |
| SCHEMBL3661310 | 0.82 | KEAP1 (0.49) | LTB4R2KDM4EALDH1A1MAPTMAPK1 | |
| SCHEMBL6608102 | 0.81 | SLC13A5 (0.46) | LTB4R2SLC6A9PPARGPPARAGPR88 | |
| SCHEMBL11866005 | 0.78 | ALDH1A1 (0.43) | LTB4R2KDM4EPPARGPPARAALDH1A1 | |
| SCHEMBL7771243 | 0.78 | TSHR (0.51) | KDM4EHSD17B10PPARGALDH1A1MAPK1 | |
| SCHEMBL3656769 | 0.78 | TSHR (0.51) | LTB4R2KDM4EALDH1A1MAPTMAPK1 | |
| SCHEMBL6893551 | 0.72 | TSHR (0.47) | KDM4EHSD17B10ALDH1A1GAAMAPT | |
| SCHEMBL11546490 | 0.71 | TSHR (0.50) | LTB4R2KDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL11430998 | 0.71 | TSHR (0.50) | KDM4EHSD17B10ALDH1A1GAAMAPT | |
| SCHEMBL4081274 | 0.71 | ALDH1A1 (0.47) | KDM4EHSD17B10ALDH1A1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | disclosed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |