Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1744820 | 0.87 | LMNA (0.56) | CYP2D6CYP2C9CYP2C19HDAC8HDAC6 | |
| SCHEMBL4612423 | 0.84 | HTT (0.77) | HTTCYP2D6CYP2C9CYP2C19HDAC8 | |
| SCHEMBL4048061 | 0.81 | HTT (0.62) | HTTCYP2D6SMN1; SMN2LMNAPOLB | |
| SCHEMBL279859 | 0.78 | HTT (0.63) | HTTCYP2D6CYP2C9CYP2C19HDAC8 | |
| SCHEMBL6946370 | 0.78 | HTT (0.68) | HTTCYP2D6CYP2C9CYP2C19HDAC8 | |
| SCHEMBL7698519 | 0.78 | HTT (0.63) | HTTCYP2D6CYP2C9CYP2C19HDAC8 | |
| SCHEMBL2399935 | 0.77 | HTT (0.96) | HTTCYP2C9CYP2C19HDAC8HDAC6 | |
| SCHEMBL177485 | 0.76 | HPGD (0.61) | HTTSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL2563773 | 0.76 | ERN1 (0.57) | CYP2D6CYP2C9CYP2C19SMN1; SMN2POLB | |
| SCHEMBL2558330 | 0.75 | ERN1 (0.59) | CYP2D6CYP2C9CYP2C19SMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | disclosed |