Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10929806 | 0.96 | CYP2C9 (0.39) | CYP2C9MAPTALDH1A1LMNACHRM1 | |
| SCHEMBL10928106 | 0.95 | CYP2C9 (0.40) | CYP2C9MAPTALDH1A1LMNACHRM1 | |
| SCHEMBL10927697 | 0.95 | CYP2C9 (0.46) | CYP2C9MAPTALDH1A1LMNACHRM1 | |
| SCHEMBL10926849 | 0.91 | CYP2C9 (0.39) | CYP2C9MAPTALDH1A1LMNACHRM1 | |
| SCHEMBL10929510 | 0.91 | CYP2C9 (0.41) | CYP2C9MAPTALDH1A1LMNAPOLB | |
| SCHEMBL10929530 | 0.91 | CYP2C9 (0.41) | CYP2C9MAPTALDH1A1LMNAPOLB | |
| SCHEMBL19774582 | 0.89 | PLA2G2A (0.40) | CYP2C9MAPTALDH1A1LMNAFFAR1 | |
| SCHEMBL10927411 | 0.87 | CYP2C9 (0.40) | CYP2C9MAPTALDH1A1LMNAPOLB | |
| SCHEMBL10927418 | 0.87 | CYP2C9 (0.40) | CYP2C9MAPTALDH1A1LMNAPOLB | |
| SCHEMBL18468329 | 0.87 | CYP2C9 (0.41) | CYP2C9MAPTALDH1A1LMNAFFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4551264-A | Polyhalogenoaromatic compounds for liquid crystal compositions | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-11-05 | — | — | US | disclosed |
| EP-0090183-A1 | Polyhalogenated aromatic compounds | MERCK PATENT GmbH (DE) | 1983-10-05 | — | — | EP | disclosed |