Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17867750 | 0.83 | CHRM1 (0.37) | CHRM2CHRM1CHRM3ADRA1ACHRNA4 | |
| SCHEMBL17880484 | 0.83 | CHRM1 (0.37) | CHRM2CHRM1CHRM3ADRA1ACHRNA4 | |
| SCHEMBL20725170 | 0.82 | CHRM1 (0.36) | CHRM2CHRM1CHRM3ADRA1ACHRNA4 | |
| SCHEMBL17867805 | 0.80 | CHRM2 (0.40) | CHRM2CHRM1CHRM3ADRA1ACHRNA4 | |
| SCHEMBL17880485 | 0.80 | CHRM2 (0.40) | CHRM2CHRM1CHRM3ADRA1ACHRNA4 | |
| SCHEMBL12429411 | 0.75 | TLR4 (0.45) | TLR4 | |
| SCHEMBL14667227 | 0.73 | TLR4 (0.43) | CHRM2CHRM1CHRM3ADRA1ACHRNA4 | |
| SCHEMBL20725171 | 0.72 | CHRM1 (0.37) | CHRM2CHRM1CHRM3ADRA1ACHRNA4 | |
| SCHEMBL17880486 | 0.72 | CHRM2 (0.40) | CHRM2CHRM1CHRM3ADRA1ACHRNA4 | |
| SCHEMBL16155597 | 0.72 | ALDH1A1 (0.35) | TLR4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014165736-A2 | ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2014-10-09 | — | — | WO | disclosed |