Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 7/20 | 0.60 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.60 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.59 |
| ▸ | USP2 | O75604 | 8/20 | 0.59 |
| ▸ | MEN1 | O00255 | 8/20 | 0.59 |
| ▸ | ATM | Q13315 | 3/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12660523 | 0.88 | KEAP1 (0.61) | KEAP1NFE2L2TLR9KMT2AUSP2 | |
| SCHEMBL22099930 | 0.87 | KEAP1 (0.60) | KEAP1NFE2L2TLR9KMT2AUSP2 | |
| SCHEMBL23624902 | 0.86 | KEAP1 (0.62) | KEAP1NFE2L2TLR9KMT2AUSP2 | |
| SCHEMBL20385847 | 0.86 | KEAP1 (0.61) | KEAP1NFE2L2TLR9KMT2AUSP2 | |
| SCHEMBL10262050 | 0.85 | LMNA (0.59) | KEAP1NFE2L2KMT2AUSP2MEN1 | |
| SCHEMBL10262375 | 0.85 | CYP1B1 (0.60) | KMT2AMEN1CYP1B1MAPTKDM4E | |
| SCHEMBL14329995 | 0.84 | KEAP1 (0.57) | KEAP1NFE2L2TLR9KMT2AUSP2 | |
| SCHEMBL19872904 | 0.83 | USP2 (0.68) | KEAP1NFE2L2TLR9KMT2AUSP2 | |
| SCHEMBL28118369 | 0.82 | KEAP1 (0.60) | KEAP1NFE2L2TLR9KMT2AUSP2 | |
| SCHEMBL18080686 | 0.82 | KDM4E (0.61) | KMT2AMEN1KDM4EALDH1A1SMN1; SMN2 |
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-20140273274-A1 | METHODS FOR THE SELECTIVE DETECTION OF ALKYNE-PRESENTING MOLECULES AND RELATED COMPOSITIONS AND SYSTEMS | LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) | 2014-09-18 | — | — | US | disclosed |