Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4214955 | 0.83 | CXCR4 (0.41) | CXCR4HSP90AA1HSP90AB1MAOAMAOB | |
| SCHEMBL2082171 | 0.79 | ADORA2A (0.41) | CXCR4HSP90AA1HSP90AB1MAOAMAOB | |
| SCHEMBL2083555 | 0.79 | CXCR4 (0.39) | CXCR4HSP90AA1HSP90AB1MAOAMAOB | |
| SCHEMBL2085159 | 0.78 | CXCR4 (0.38) | CXCR4HSP90AA1HSP90AB1MAOAMAOB | |
| SCHEMBL2083908 | 0.78 | ADORA2A (0.38) | CXCR4HSP90AA1HSP90AB1MAOAMAOB | |
| SCHEMBL14025128 | 0.78 | ADRA2C (0.46) | CXCR4MAOAMAOBKDM4EADRB2 | |
| SCHEMBL2081741 | 0.77 | CXCR4 (0.40) | CXCR4HSP90AA1HSP90AB1MAOAMAOB | |
| SCHEMBL2083677 | 0.76 | HCRTR1 (0.43) | MAOBCYP1A2KDM4EHTR1AALDH1A1 | |
| SCHEMBL7896155 | 0.75 | CXCR4 (0.41) | CXCR4MAOAMAOBCHRM2ADRB2 | |
| SCHEMBL25376277 | 0.75 | MAOA (0.41) | CXCR4MAOAMAOBKDM4EADRB2 |
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-4359388-A2 | ISOQUINOLINE AND PYRIDINE BASED CXCR4 ANTAGONISTS | Katholieke Universiteit Leuven (BE) | 2024-05-01 | — | — | EP | disclosed |
| WO-2022269027-A2 | ISOQUINOLINE AND PYRIDINE BASED CXCR4 ANTAGONISTS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2022-12-29 | — | — | WO | disclosed |