Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL19400459 | 0.81 | CYP3A4 (0.37) | ESR1ESR2DYRK1ACYP3A4CHRM1 | |
| SCHEMBL9623383 | 0.78 | ESR2 (0.52) | ESR1ESR2DYRK1ATLR8CYP3A4 | |
| SCHEMBL31433385 | 0.77 | DYRK1A (0.54) | ESR1ESR2DYRK1ACYP3A4CHRM1 | |
| SCHEMBL29771834 | 0.76 | ESR1 (0.52) | ESR1ESR2MAOBTLR8CYP3A4 | |
| SCHEMBL21066524 | 0.76 | ESR1 (0.52) | ESR1ESR2MAOBTLR8CYP3A4 | |
| SCHEMBL1206773 | 0.76 | ESR1 (0.72) | ESR1ESR2TLR8CYP3A4HSD17B1 | |
| SCHEMBL12962944 | 0.76 | CYP1A2 (0.52) | ESR1ESR2NQO2DYRK1ACYP3A4 | |
| SCHEMBL3835260 | 0.75 | ESR1 (0.50) | ESR1ESR2NQO2HSD17B1HSD17B2 | |
| SCHEMBL29771841 | 0.74 | ESR1 (0.58) | ESR1ESR2MAOBTLR8ALOX15 | |
| SCHEMBL2209442 | 0.74 | ESR1 (0.58) | ESR1ESR2MAOBTLR8ALOX15 |
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-3036307-B1 | ALKINYL-TOLANES, LIQUID-CRYSTAL MIXTURES CONTAINING THEM AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY | MERCK PATENT GMBH (DE) | 2017-06-21 | — | — | EP | disclosed |