Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | INSR | P06213 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CFD | P00746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL178998 | 0.76 | POLB (0.46) | POLBCCR5ALDH1A1INSRIGF1R | |
| Bromide SCHEMBL7663198 | 0.75 | CCR5 (0.36) | CHRM3POLBCCR5ALDH1A1INSR | |
| SCHEMBL109321 | 0.71 | POLB (0.42) | POLBCCR5ALDH1A1INSRIGF1R | |
| Bromide SCHEMBL8399536 | 0.66 | PTGS1 (0.37) | POLBALDH1A1TRPV1PTGS1TSHR | |
| Bromide SCHEMBL7661952 | 0.66 | CCR5 (0.35) | CHRM2CHRM1CHRM3POLBCCR5 | |
| Bromide SCHEMBL7661951 | 0.66 | CCR5 (0.35) | CHRM2CHRM1CHRM3POLBCCR5 | |
| Bromide SCHEMBL7655365 | 0.66 | ALOX15 (0.41) | CHRM3 | |
| SCHEMBL10338797 | 0.65 | CCR5 (0.57) | CCR5ALDH1A1TRPV1PTGS1CFD | |
| SCHEMBL178994 | 0.64 | KMT2A (0.51) | ALDH1A1PTGS1KDM4E | |
| Bromide SCHEMBL8396935 | 0.63 | CHRNA7 (0.39) | CHRM2CHRM1CHRM3CCR5ALDH1A1 |
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-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |