Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16691340 | 0.86 | GRM5 (0.41) | CYP2D6ALDH1A1GAAMAPT | |
| SCHEMBL16692869 | 0.85 | CNR2 (0.44) | POLBKMT2ANPSR1KDM4EALDH1A1 | |
| SCHEMBL16692848 | 0.81 | PKM (0.39) | MEN1KMT2AKDM4EALDH1A1TSHR | |
| SCHEMBL30443099 | 0.79 | TNIK (0.44) | CYP1A2CYP3A4CYP2C19RAB9AMEN1 | |
| SCHEMBL16692866 | 0.79 | TNIK (0.44) | CYP1A2CYP3A4CYP2C19RAB9AMEN1 | |
| SCHEMBL16692858 | 0.78 | CYP2C9 (0.43) | CYP3A4CYP2D6CYP2C19SIGMAR1CLPP | |
| SCHEMBL16692838 | 0.78 | GRM5 (0.41) | CYP1A2CYP2D6CLPPMAPT | |
| SCHEMBL16692826 | 0.76 | TNIK (0.46) | SMN1; SMN2KDM4EALDH1A1SIRT2SIRT1 | |
| SCHEMBL16691277 | 0.75 | PSEN1 (0.49) | POLBGAAMAPT | |
| SCHEMBL16692874 | 0.74 | ROCK2 (0.50) | KDM4EALDH1A1GAADRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015066697-A1 | FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF | FORUM PHARMACEUTICALS INC. (US) | 2015-05-07 | — | — | WO | disclosed |