Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.47 |
| ▸ | ITGAV | P06756 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5848939 | 0.94 | ALDH1A1 (0.56) | ALDH1A1HPGDITGB3ITGAVCDC25A | |
| Trifluoroacetic Acid SCHEMBL6496568 | 0.91 | ALDH1A1 (0.44) | ALDH1A1HPGDITGB3ITGAVCYP1A2 | |
| SCHEMBL17234481 | 0.86 | ALDH1A1 (0.60) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL10767538 | 0.82 | MAPK1 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL3148784 | 0.80 | KMT2A (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL18794901 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HPGDITGB3ITGAVCYP1A2 | |
| SCHEMBL2037116 | 0.80 | ITGB3 (0.70) | ITGB3ITGAV | |
| SCHEMBL3135531 | 0.79 | PRMT1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL8501601 | 0.79 | PRMT1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL284282 | 0.79 | PRMT1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 |
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-1153014-B1 | BETA-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-22 | — | — | EP | disclosed |
| CN-1146541-C | Beta-alanine derivatives | Ĭ��ר���ɷ�����˾ | 2004-04-21 | — | — | CN | 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 |
| CN-1340046-A | Beta-alanine derivatives | MERCK PATENT GMBH (DE) | 2002-03-13 | — | — | CN | disclosed |