Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.66 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.66 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.66 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.66 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.66 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.66 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.66 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL25342051 | 0.92 | HDAC3 (0.76) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL30638471 | 0.89 | KEAP1 (0.63) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL4407150 | 0.89 | KEAP1 (0.63) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL4402323 | 0.86 | AKR1B1 (0.62) | CYP1A2MAPTCYP2C19AKR1B1FFAR1 | |
| SCHEMBL27712159 | 0.85 | SMN1; SMN2 (0.66) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| Phenylbutanoic Acid SCHEMBL7703557 | 0.85 | HDAC1 (0.84) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL1197247 | 0.85 | MAPT (0.78) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL70565 | 0.84 | AKR1B1 (0.71) | CYP1A2MAPTCYP2C19AKR1B1GLS | |
| SCHEMBL10963130 | 0.84 | ALDH1A1 (0.68) | CYP1A2CYP2C19AKR1B1GLSHSD17B10 | |
| SCHEMBL1666941 | 0.84 | SMN1; SMN2 (0.63) | SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101663284-A | Macrocyclic compounds as hcv ns3 protease inhibitors | NOVARTIS AG | 2010-03-03 | — | — | CN | disclosed |