Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 11/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 11/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 11/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 11/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 11/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 11/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 11/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 11/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 11/20 | 0.36 |
| ▸ | MLYCD | O95822 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27698724 | 0.91 | HDAC3 (0.43) | NAMPTHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27698752 | 0.89 | NAMPT (0.40) | NAMPTHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27719002 | 0.83 | MLYCD (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2823262 | 0.83 | GPR119 (0.53) | GPR119 | |
| SCHEMBL28771983 | 0.81 | HDAC3 (0.34) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27698702 | 0.76 | HDAC3 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Tert-Butyl Formate SCHEMBL27698698 | 0.74 | CYP1A2 (0.38) | NAMPTHDAC3HDAC1HDAC2MEN1 | |
| Hydrochloric Acid SCHEMBL2825144 | 0.74 | NAMPT (0.42) | NAMPTHDAC3HDAC1HDAC2MEN1 | |
| SCHEMBL2826702 | 0.74 | PIK3CA (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27718993 | 0.73 | MLYCD (0.44) | MLYCD |
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 |
|---|---|---|---|---|---|---|---|
| CN-101137363-B | [4- (heteroaryl) piperazin-1-yl ] - (2, 5-substituted-phenyl) methanone derivatives as glycine transporter 1(GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders | HOFFMANN LA ROCHE | 2010-09-15 | — | — | CN | disclosed |
| CN-101137363-A | [ 4- (heteroaryl) piperazin-1-yl ] - (2, 5-substituted-phenyl) methanone derivatives as glycine transporter 1 (GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders | HOFFMANN LA ROCHE (CH) | 2008-03-05 | — | — | CN | disclosed |