Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.43 |
| ▸ | JAK1 | P23458 | 2/20 | 0.43 |
| ▸ | F13A1 | P00488 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | TGM1 | P22735 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL928515 | 0.94 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| Trifluoroacetic Acid SCHEMBL6322770 | 0.94 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL501192 | 0.88 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL501030 | 0.85 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL30455747 | 0.85 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL4096075 | 0.84 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL12683432 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL15515692 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL8085627 | 0.82 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL1586777 | 0.82 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119635-B2 | Diazabicyclic central nervous system active agents | ABBOTT LABORATORIES (US) | 2012-02-21 | — | — | US | disclosed |
| EP-2298775-A1 | Diazabicyclic central nervous system active agents | Abbott Laboratories (US) | 2011-03-23 | — | — | EP | disclosed |
| EP-2295437-A1 | Diazabicyclic central nervous system active agents | Abbott Laboratories (US) | 2011-03-16 | — | — | EP | disclosed |