Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4201919 | 0.94 | CXCR4 (0.49) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4208222 | 0.90 | CXCR4 (0.44) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4203408 | 0.88 | CXCR4 (0.42) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4202608 | 0.88 | CXCR4 (0.45) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4199102 | 0.87 | CXCR4 (0.42) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL13473524 | 0.86 | CXCR4 (0.47) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4201503 | 0.84 | CXCR4 (0.45) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL14139407 | 0.83 | CXCR4 (0.40) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4225549 | 0.83 | CXCR4 (0.44) | CXCR4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4202048 | 0.83 | CXCR4 (0.46) | CXCR4ALDH1A1KDM4EMEN1KMT2A |
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-1942108-B1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO (JP) | 2013-09-04 | — | — | EP | claimed |