Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL10894589 | 1.00 | CYP2C9 (0.35) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10892172 | 0.96 | CYP2C9 (0.33) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10930882 | 0.96 | CYP2C9 (0.33) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10892184 | 0.96 | CYP2C9 (0.33) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10892201 | 0.96 | MEN1 (0.37) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10892210 | 0.96 | MEN1 (0.37) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL5886573 | 0.95 | MEN1 (0.36) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL5886572 | 0.95 | MEN1 (0.36) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10929174 | 0.92 | MEN1 (0.35) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10894597 | 0.92 | MEN1 (0.35) | CYP2C9GRIN2DGRIN3BGRIN1GRIN2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0090183-B1 | POLYHALOGENATED AROMATIC COMPOUNDS | MERCK PATENT GmbH (DE) | 1986-02-19 | — | — | EP | disclosed |
| 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 |