Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 7/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19058527 | 0.89 | CXCR4 (0.50) | CXCR4ADRB1ALDH1A1HSD17B10 | |
| SCHEMBL21427272 | 0.86 | CXCR4 (0.55) | CXCR4ADRB1KDM4EALDH1A1SIGMAR1 | |
| SCHEMBL12342819 | 0.80 | MEN1 (0.44) | CXCR4ADRB1KDM4EALDH1A1HTR2C | |
| SCHEMBL12629018 | 0.79 | KMT2A (0.44) | CXCR4ADRB1KDM4EALDH1A1HTR2A | |
| SCHEMBL9213719 | 0.79 | CXCR4 (0.49) | CXCR4ADRB1KDM4EALDH1A1HTR2A | |
| SCHEMBL21427211 | 0.77 | CXCR4 (0.52) | CXCR4ADRB1KDM4EALDH1A1 | |
| SCHEMBL24922952 | 0.77 | HTR2A (0.33) | KDM4EALDH1A1HTR2AHTR2CSLC6A4 | |
| SCHEMBL4359497 | 0.76 | MEN1 (0.41) | CXCR4ALDH1A1TSHR | |
| SCHEMBL21906528 | 0.76 | CXCR4 (0.61) | CXCR4ADRB1JAK3SIGMAR1 | |
| SCHEMBL674043 | 0.75 | CXCR4 (0.83) | CXCR4SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023006938-A1 | MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES AND MEDICAL USES THEREOF | GUERBET (FR) | 2023-02-02 | — | — | WO | disclosed |
| EP-4124361-A1 | MACROCYCLIC LIGANDS WITH PICOLINATE GROUP(S), COMPLEXES THEREOF AND MEDICAL USES THEREOF | Guerbet (FR) | 2023-02-01 | — | — | EP | disclosed |