Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT5 | Q9NXA8 | 4/20 | 0.54 |
| ▸ | ALB | P02768 | 2/20 | 0.47 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | GLP1R | P43220 | 8/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | GNPAT | O15228 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18800100 | 0.86 | SIRT5 (0.62) | SIRT5ALBNOD1CHRM1ADRA1A | |
| SCHEMBL10778212 | 0.81 | NOD1 (0.59) | SIRT5NOD1ESR1PGRHTR1A | |
| SCHEMBL11596384 | 0.80 | NOD2 (0.49) | SIRT5NOD1SIRT2FOLH1GNPAT | |
| SCHEMBL17424382 | 0.79 | SIRT5 (0.55) | SIRT5ALBNOD1SIRT2FOLH1 | |
| SCHEMBL12035334 | 0.79 | SIRT5 (0.55) | SIRT5SIRT2FOLH1 | |
| SCHEMBL29430995 | 0.78 | NOD1 (0.51) | SIRT5NOD1ESR1PGRHTR1A | |
| SCHEMBL17359223 | 0.77 | ALB (0.52) | SIRT5ALBNOD1FOLH1GLP1R | |
| SCHEMBL14685805 | 0.77 | ALB (0.52) | SIRT5ALBNOD1FOLH1GLP1R | |
| SCHEMBL10653624 | 0.77 | ESR1 (0.57) | NOD1ESR1PGRHTR1AADORA3 | |
| SCHEMBL13214020 | 0.76 | ALB (0.51) | SIRT5ALBNOD1FOLH1GLP1R |
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 |
|---|---|---|---|---|---|---|---|
| EP-3239139-B1 | CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE | NINGBO COMBIREG PHARMACEUTICAL TECH CO LTD (CN) | 2020-10-28 | — | — | EP | disclosed |