Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 9/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2073745 | 0.85 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1ALDH1A1ATMLOXL2 | |
| SCHEMBL2074775 | 0.85 | HDAC3 (0.50) | SCN9ASMN1; SMN2NAMPTNPC1ALDH1A1 | |
| SCHEMBL2074790 | 0.84 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1ALDH1A1ATMLOXL2 | |
| SCHEMBL2075861 | 0.84 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1ALDH1A1ATMLOXL2 | |
| SCHEMBL2075728 | 0.83 | SMN1; SMN2 (0.52) | SCN9ASMN1; SMN2NPC1ALDH1A1ATM | |
| SCHEMBL2074244 | 0.82 | NPC1 (0.53) | SMN1; SMN2NPC1ALDH1A1ATM | |
| SCHEMBL2075431 | 0.81 | LMNA (0.43) | HRH3SMN1; SMN2NPC1ALDH1A1ATM | |
| SCHEMBL2075521 | 0.81 | NAMPT (0.53) | HRH3KCNH2SCN9ASMN1; SMN2NAMPT | |
| SCHEMBL2075500 | 0.78 | SMN1; SMN2 (0.42) | HRH3SMN1; SMN2ALDH1A1 | |
| SCHEMBL2072344 | 0.77 | CNR2 (0.43) | HRH3SMN1; SMN2ALDH1A1LOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | disclosed |