Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 7/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29137617 | 0.78 | NISCH (0.38) | NISCHCHRNB2CHRNA7CHRNA4 | |
| SCHEMBL11132739 | 0.71 | NISCH (0.87) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL21391659 | 0.71 | NISCH (0.95) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL11134164 | 0.70 | NISCH (0.78) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL12556941 | 0.70 | — | — | |
| SCHEMBL11132717 | 0.70 | NISCH (0.83) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL11130232 | 0.70 | NISCH (0.91) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL1139763 | 0.70 | NISCH (1.00) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL8142116 | 0.70 | NISCH (1.00) | NISCHCYP2D6HTR1AADRA2AADRA1A | |
| SCHEMBL3742120 | 0.69 | NISCH (0.50) | NISCHCYP2D6ADRA2AADRA1AMEN1 |
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-3670509-A1 | INHIBITORS OF INV(16) LEUKEMIA | The University of Virginia Patent Foundation (US) | 2020-06-24 | — | — | EP | disclosed |