Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10927697 | 0.92 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL10928106 | 0.92 | CYP2C9 (0.40) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL10926849 | 0.91 | CYP2C9 (0.39) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL10927798 | 0.90 | CYP2C9 (0.49) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL10927809 | 0.90 | CYP2C9 (0.49) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL10929227 | 0.86 | CYP2C9 (0.40) | CYP2C9ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL18468329 | 0.86 | CYP2C9 (0.41) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL4861791 | 0.86 | CYP2C9 (0.50) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL4861782 | 0.86 | CYP2C9 (0.50) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL10931919 | 0.86 | CYP2C9 (0.50) | CYP2C9ALDH1A1MAPTLMNAMEN1 |
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 |