Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | LCAT | P04180 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL461453 | 0.84 | ATM (0.55) | ATMHTTALDH1A1MEN1KMT2A | |
| Tert-Butyl Formate SCHEMBL27719010 | 0.78 | SCN4A (0.39) | ALDH1A1SCN9ASCN4AEPHX2 | |
| Tert-Butyl Formate SCHEMBL27718994 | 0.78 | MLYCD (0.40) | SCN9ASCN4AEPHX2 | |
| Trifluoroacetic Acid SCHEMBL2823609 | 0.78 | HTT (0.47) | ATMHTTALDH1A1MEN1KMT2A | |
| Tert-Butyl Formate SCHEMBL28265181 | 0.76 | OGA (0.43) | SCN9ASCN4ALCATEPHX2SPR | |
| Tert-Butyl Formate SCHEMBL27698703 | 0.73 | TDP1 (0.39) | ALDH1A1SCN9ASCN4A | |
| Tert-Butyl Formate SCHEMBL27718999 | 0.72 | SCN4A (0.36) | ALDH1A1SCN9ASCN4A | |
| Tert-Butyl Formate SCHEMBL27786494 | 0.72 | BPTF (0.43) | LCATEPHX2SLC6A9 | |
| Tert-Butyl Formate SCHEMBL27981819 | 0.71 | MAOB (0.55) | ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27648740 | 0.71 | CHRNB2 (0.43) | ALDH1A1EPHX2 |
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 |