Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 8/20 | 0.54 |
| ▸ | ITGB6 | P18564 | 8/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.54 |
| ▸ | ITGB5 | P18084 | 7/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.49 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7173698 | 0.98 | ITGAV (0.54) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL7171933 | 0.93 | ITGAV (0.54) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL6669951 | 0.92 | ITGAV (0.61) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL7171785 | 0.90 | ITGAV (0.55) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL7177374 | 0.90 | ITGAV (0.52) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL7172069 | 0.90 | ITGAV (0.64) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL7172197 | 0.89 | ITGAV (0.63) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL7172208 | 0.89 | ITGAV (0.63) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL7172201 | 0.89 | ITGAV (0.54) | ITGAVITGB6ITGB3ITGB5ITGA2B | |
| SCHEMBL7172214 | 0.89 | ITGAV (0.63) | ITGAVITGB6ITGB3ITGB5ITGA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153014-B1 | BETA-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6576637-B1 | Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, | MERCK PATENT GMBH (DE) | 2003-06-10 | — | — | US | disclosed |