Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21971077 | 0.79 | CYP3A4 (0.42) | ESR1ESR2CYP3A4CHRM1ALOX15 | |
| SCHEMBL20146603 | 0.71 | CYP3A4 (0.39) | ESR1ESR2CYP3A4CHRM1ALOX15 | |
| SCHEMBL253926 | 0.69 | CYP3A4 (0.58) | ESR1ESR2CYP3A4CHRM1ALOX15 | |
| SCHEMBL17083183 | 0.68 | CYP3A4 (0.41) | ESR1ESR2CYP3A4CHRM1ALOX15 | |
| Methane SCHEMBL27301821 | 0.67 | CYP3A4 (0.55) | ESR1ESR2CYP3A4CHRM1ALOX15 | |
| SCHEMBL8773048 | 0.67 | CYP3A4 (0.55) | ESR1ESR2CYP3A4CHRM1ALOX15 | |
| SCHEMBL29429337 | 0.63 | CYP3A4 (0.50) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL69242 | 0.63 | CYP3A4 (0.50) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL6002065 | 0.63 | CYP3A4 (0.50) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL9229878 | 0.63 | ESR1 (0.46) | ESR1ESR2CYP3A4CHRM1ALOX15 |
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 |