Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL947589 | 0.91 | CXCR4 (0.55) | CXCR4SIGMAR1POLBCTSKKCNH2 | |
| SCHEMBL950191 | 0.85 | CXCR4 (0.55) | CXCR4SIGMAR1POLBCTSKKCNH2 | |
| SCHEMBL947273 | 0.82 | CXCR4 (0.58) | CXCR4SIGMAR1POLBKMT2AKDM4E | |
| SCHEMBL5501977 | 0.80 | SIGMAR1 (0.47) | CXCR4SIGMAR1POLBCTSKKCNH2 | |
| SCHEMBL946951 | 0.78 | CXCR4 (0.47) | CXCR4SIGMAR1POLBCTSKKCNH2 | |
| SCHEMBL946191 | 0.76 | CXCR4 (0.58) | CXCR4SIGMAR1POLBKMT2AKDM4E | |
| SCHEMBL19597688 | 0.76 | POLB (0.59) | SIGMAR1POLBKMT2AHTTKDM4E | |
| SCHEMBL5907863 | 0.75 | ALDH1A1 (0.49) | CXCR4SIGMAR1POLBKMT2AKDM4E | |
| SCHEMBL4273309 | 0.73 | KCNH2 (0.52) | CXCR4KCNH2NPSR1 | |
| SCHEMBL12666432 | 0.72 | CXCR4 (0.71) | CXCR4SIGMAR1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740574-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | Otsuka Pharmaceutical Company, Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105778-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-11-10 | — | — | WO | disclosed |