Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 8/20 | 0.52 |
| ▸ | TLR7 | Q9NYK1 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | NPY2R | P49146 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL30689003 | 0.92 | TLR8 (0.51) | TLR8NPC1PKMRAB9AKMT2A | |
| SCHEMBL14964747 | 0.85 | KMT2A (0.55) | TLR8NPC1PKMRAB9AKMT2A | |
| SCHEMBL3023761 | 0.84 | TLR7 (0.50) | TLR7NPC1PKMRAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL6908984 | 0.84 | NCF1 (0.59) | NPC1PKMRAB9AKMT2ADCPS | |
| Hydrochloric Acid SCHEMBL3231113 | 0.83 | TLR7 (0.49) | TLR7NPC1PKMRAB9AKMT2A | |
| SCHEMBL28036770 | 0.79 | DCPS (0.49) | NPC1PKMRAB9AKMT2ADCPS | |
| SCHEMBL30689007 | 0.77 | ACP1 (0.55) | ALDH1A1 | |
| SCHEMBL6380647 | 0.76 | TLR7 (0.45) | TLR7NPC1PKMRAB9AKMT2A | |
| SCHEMBL148103 | 0.76 | DCPS (0.57) | TLR8NPC1PKMRAB9AKMT2A | |
| SCHEMBL16836380 | 0.75 | NCF1 (0.76) | TLR8NCF1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2566480-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | California Institute of Technology (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011140527-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) | 2011-11-10 | — | — | WO | disclosed |