Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | F13A1 | P00488 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | THPO | P40225 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2084248 | 0.84 | TP53 (0.38) | NOS3NOS1NOS2CHRM2ALOX15 | |
| SCHEMBL2082535 | 0.77 | L3MBTL1 (0.44) | LMNASMN1; SMN2RECQL | |
| SCHEMBL5576013 | 0.74 | CYP2A6 (0.38) | CXCR4CHRM2CYP1A2ADORA2ASLC40A1 | |
| SCHEMBL5576023 | 0.74 | SCN8A (0.38) | CXCR4CHRM2SLC40A1 | |
| SCHEMBL2086074 | 0.74 | MAOA (0.46) | CA12CA2CA9CA1TSHR | |
| SCHEMBL25459137 | 0.73 | ACHE (0.55) | — | |
| SCHEMBL10732016 | 0.72 | STK17A (0.47) | NOS3NOS1NOS2AURKAJAK1 | |
| SCHEMBL20483313 | 0.72 | NOS3 (0.43) | CXCR4NOS3NOS1NOS2CYP1A2 | |
| SCHEMBL2082753 | 0.72 | NOS3 (0.52) | CXCR4NOS3NOS1NOS2CYP1A2 | |
| SCHEMBL22904334 | 0.71 | CHRM2 (0.46) | CHRM2 |
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-1613613-B1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORP (US) | 2021-06-02 | — | — | EP | disclosed |
| EP-1613613-B1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORP (US) | 2021-06-02 | — | — | EP | disclosed |