Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5708190 | 0.85 | SMN1; SMN2 (0.57) | GAAALOX5NPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL54627 | 0.81 | SMN1; SMN2 (0.60) | GAAALOX5NPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL11312933 | 0.81 | GAA (0.47) | GAAALOX5NPC1SMN1; SMN2PTPN11 | |
| SCHEMBL31504604 | 0.81 | NPC1 (0.52) | GAAALOX5NPC1SMN1; SMN2CYP3A4 | |
| Hydrogen Sulfide SCHEMBL29443442 | 0.80 | SMN1; SMN2 (0.59) | GAAALOX5NPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL12246447 | 0.80 | ADRB2 (0.54) | ALOX5NPC1ALDH1A1MAPTNPSR1 | |
| SCHEMBL27764131 | 0.77 | NPC1 (0.56) | GAAALOX5NPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL14218381 | 0.77 | NPC1 (0.49) | GAAALOX5NPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL6576584 | 0.76 | ALOX5 (0.58) | GAAALOX5SMN1; SMN2ALDH1A1HTT | |
| Methyl 3,5-Dinitrobenzoate SCHEMBL418416 | 0.75 | SMN1; SMN2 (0.60) | GAAALOX5NPC1SMN1; SMN2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5086128-A | HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |