Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 11/20 | 0.61 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.61 |
| ▸ | ITGB6 | P18564 | 8/20 | 0.61 |
| ▸ | ITGB5 | P18084 | 7/20 | 0.61 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.61 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.57 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CTSA | P10619 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7172069 | 0.98 | ITGAV (0.64) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7172208 | 0.97 | ITGAV (0.63) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7172197 | 0.97 | ITGAV (0.63) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7172214 | 0.97 | ITGAV (0.63) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| Trifluoroacetic Acid SCHEMBL6669704 | 0.95 | ITGAV (0.64) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7173695 | 0.93 | ITGAV (0.62) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7178263 | 0.93 | ITGAV (0.61) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7178264 | 0.92 | ITGAV (0.60) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7178260 | 0.92 | ITGAV (0.60) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7178247 | 0.92 | ITGAV (0.60) | ITGAVITGB3ITGB6ITGB5ITGA2B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | claimed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | claimed |
| 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 |
| EP-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | disclosed |