Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1138689 | 0.77 | CYP3A4 (0.46) | CYP3A4RAPGEF4KMONPC1RAB9A | |
| SCHEMBL31468433 | 0.77 | TTR (0.55) | CYP3A4RAPGEF4CA2MAPTHTR3E | |
| SCHEMBL2407880 | 0.77 | CYP3A4 (0.46) | CYP3A4RAPGEF4KMOCA2PTGS1 | |
| SCHEMBL177454 | 0.77 | TTR (0.55) | CYP3A4RAPGEF4CA2MAPTHTR3E | |
| SCHEMBL1138468 | 0.76 | CYP3A4 (0.45) | CYP3A4RAPGEF4KMONPC1RAB9A | |
| SCHEMBL4968436 | 0.74 | CYP3A4 (0.43) | CYP3A4RAPGEF4KMONPC1RAB9A | |
| SCHEMBL12270711 | 0.71 | ORAI1 (0.61) | CYP3A4RAPGEF4KMOCA2MAPT | |
| SCHEMBL13476019 | 0.71 | CYP3A4 (0.41) | CYP3A4RAPGEF4KMONPC1RAB9A | |
| SCHEMBL5166435 | 0.70 | TRPV6 (0.57) | CYP3A4KMORAB9ASMN1; SMN2KDM4E | |
| SCHEMBL16667281 | 0.70 | HPGD (0.40) | CYP3A4RAPGEF4NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8980544-B2 | Boronic and borinic acid compounds as inhibitors of sulfenic acid-containing proteins | THE PENN STATE RESEARCH FOUNDATION (US) | 2015-03-17 | — | — | US | disclosed |
| US-20140147905-A1 | Boronic and Borinic Acid Compounds as Inhibitors of Sulfenic Acid-Containing Proteins | THE PENN STATE RESEARCH FOUNDATION | 2014-05-29 | — | — | US | disclosed |