Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL6139855 | 1.00 | HIF1A (0.38) | HIF1AKCNQ2HDAC4HDAC3HDAC7 | |
| SCHEMBL6140423 | 0.81 | HIF1A (0.40) | HIF1AKCNQ2HDAC4HDAC3HDAC7 | |
| SCHEMBL6139946 | 0.78 | HIF1A (0.40) | HIF1AKCNQ2HDAC4HDAC3HDAC7 | |
| SCHEMBL6140078 | 0.73 | POLB (0.34) | KCNQ2TSHRPOLB | |
| SCHEMBL6140083 | 0.73 | POLB (0.34) | KCNQ2TSHRPOLB | |
| SCHEMBL5633557 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CHRNB2CHRNB4 | |
| SCHEMBL5633560 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CHRNB2CHRNB4 | |
| SCHEMBL5631939 | 0.72 | CYP1A2 (0.40) | KCNQ2CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL5631940 | 0.72 | CYP1A2 (0.40) | KCNQ2CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL6139854 | 0.71 | RAB9A (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1499591-A1 | CARBOXYLIC ACID AMIDES | MERCK PATENT GmbH (DE) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003093235-A1 | CARBOXYLIC ACID AMIDES | MERCK PATENT GMBH (DE) | 2003-11-13 | — | — | WO | disclosed |