Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 9/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL18291567 | 0.79 | CXCR4 (0.46) | CXCR4SIGMAR1KDM5CKDM4CLMNA | |
| SCHEMBL20037955 | 0.76 | CXCR4 (0.46) | CXCR4SIGMAR1KDM5CKDM4CLMNA | |
| SCHEMBL18291540 | 0.76 | CXCR4 (0.46) | CXCR4SIGMAR1KDM5CKDM4CLMNA | |
| SCHEMBL20249218 | 0.75 | CXCR4 (0.43) | CXCR4SIGMAR1KDM5CKDM4CLMNA | |
| SCHEMBL20803980 | 0.74 | CXCR4 (0.42) | CXCR4SIGMAR1KDM5CKDM4CLMNA | |
| SCHEMBL20203429 | 0.74 | CXCR4 (0.47) | CXCR4SIGMAR1CHRM2MEN1CHRM1 | |
| SCHEMBL20203428 | 0.72 | BPTF (0.57) | TDP1HRH3ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL19203825 | 0.70 | CXCR4 (0.44) | CXCR4SIGMAR1KDM5CKDM4CLMNA | |
| SCHEMBL18291648 | 0.70 | CXCR4 (0.57) | CXCR4SIGMAR1CHRM2MEN1CHRM1 | |
| SCHEMBL12028965 | 0.70 | CXCR4 (0.41) | CXCR4SIGMAR1KDM5CKDM4CLMNA |
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-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |