Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CTSA | P10619 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.51 |
| ▸ | ITGAV | P06756 | 5/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14261920 | 0.94 | NPC1 (0.58) | NPC1RAB9AHPGDMAPK1CTSA | |
| SCHEMBL14261917 | 0.89 | RAB9A (0.56) | NPC1RAB9AHPGDMAPK1CTSA | |
| SCHEMBL14261914 | 0.82 | RAB9A (0.55) | NPC1RAB9AHPGDMAPK1GAA | |
| SCHEMBL4942910 | 0.81 | CTSA (0.60) | CTSASMN1; SMN2KDM4E | |
| SCHEMBL3141349 | 0.80 | ITGB3 (0.58) | RAB9AGAAITGB3ITGAVITGA2B | |
| SCHEMBL14707656 | 0.80 | NPC1 (0.57) | NPC1RAB9AHPGDMAPK1GAA | |
| SCHEMBL14261926 | 0.78 | CTSA (0.64) | CTSA | |
| SCHEMBL14262002 | 0.77 | GAA (0.67) | MAPK1GAASMN1; SMN2ITGB3ITGAV | |
| SCHEMBL5151908 | 0.77 | ITGB3 (0.57) | NPC1RAB9AHPGDGAASMN1; SMN2 | |
| SCHEMBL14262030 | 0.77 | HPGD (0.44) | NPC1RAB9AHPGDMAPK1CTSA |
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-1529042-B1 | ARYLAMIDES | INTERMED DISCOVERY GMBH (DE) | 2013-02-20 | — | — | EP | disclosed |
| US-7348357-B2 | bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics | BAYER HEALTHCARE AG (DE) | 2008-03-25 | — | — | US | disclosed |
| US-7348357-B2 | bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics | BAYER HEALTHCARE AG (DE) | 2008-03-25 | — | — | US | disclosed |