Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 10/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18702081 | 0.80 | ATM (0.50) | ATMHTTALDH1A1PHGDHSLC6A9 | |
| SCHEMBL27718993 | 0.77 | MLYCD (0.44) | — | |
| SCHEMBL27719009 | 0.77 | MAPT (0.39) | ALDH1A1 | |
| SCHEMBL18711350 | 0.76 | ATM (0.52) | ATMHTTALDH1A1PHGDHSLC6A9 | |
| SCHEMBL28265180 | 0.74 | LMNA (0.43) | HTT | |
| SCHEMBL13447349 | 0.74 | ATM (0.59) | ATMHTTALDH1A1PHGDHSLC6A9 | |
| SCHEMBL27698702 | 0.72 | HDAC3 (0.41) | ALDH1A1 | |
| SCHEMBL27648857 | 0.71 | TRPV1 (0.46) | HTTALDH1A1MEN1KMT2A | |
| SCHEMBL15025447 | 0.70 | ATM (0.59) | ATMHTTALDH1A1PHGDHSLC6A9 | |
| SCHEMBL2119090 | 0.70 | ATM (0.52) | ATMHTTALDH1A1PHGDHSLC6A9 |
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 |