Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.33 |
| ▸ | HTR2C | P28335 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 5/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24922917 | 0.88 | POLB (0.44) | HTR2AHTR2CSLC6A4DRD2DRD3 | |
| SCHEMBL21427218 | 0.84 | KMT2A (0.41) | HTR2AHTR2CSLC6A4DRD2DRD3 | |
| SCHEMBL24923036 | 0.77 | CXCR4 (0.51) | HTR2AHTR2CSLC6A4HTR1AHTR7 | |
| SCHEMBL21427234 | 0.73 | CASP3 (0.37) | DRD2DRD3ALDH1A1KDM4EPOLB | |
| SCHEMBL9205301 | 0.72 | EGLN1 (0.40) | ALDH1A1MAPTKDM4EPOLBGAA | |
| SCHEMBL20671383 | 0.71 | BCHE (0.44) | HTR2AHTR2CDRD2DRD3HTR1A | |
| SCHEMBL1394889 | 0.70 | SLC6A9 (0.42) | ALDH1A1MAPTPOLBGAA | |
| SCHEMBL19058544 | 0.69 | CXCR4 (0.50) | HTR2AHTR2CSLC6A4DRD2DRD3 | |
| SCHEMBL12629144 | 0.68 | KMT2A (0.47) | HTR2AHTR2CSLC6A4DRD2HTR1A | |
| SCHEMBL12693935 | 0.68 | HRH3 (0.39) | ALDH1A1GAA |
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 |