Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 5/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL7042108 | 0.98 | POLB (0.34) | CXCR4POLBKDM4EALDH1A1CHRM5 | |
| SCHEMBL3971889 | 0.98 | POLB (0.34) | CXCR4POLBKDM4EALDH1A1CHRM5 | |
| Decane SCHEMBL27484158 | 0.89 | GNAO1 (0.41) | CXCR4SIGMAR1 | |
| SCHEMBL24359439 | 0.85 | KDM4E (0.41) | POLBKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3967943 | 0.85 | KDM4E (0.41) | POLBKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL6439827 | 0.79 | KDM4E (0.38) | POLBKDM4EALDH1A1 | |
| SCHEMBL3968121 | 0.79 | KDM4E (0.38) | POLBKDM4EALDH1A1 | |
| SCHEMBL3970404 | 0.77 | KDM4E (0.36) | POLBKDM4EALDH1A1 | |
| SCHEMBL13631390 | 0.76 | TSHR (0.39) | CXCR4POLBKDM4EALDH1A1CHRM5 | |
| SCHEMBL14190592 | 0.74 | POLB (0.38) | CXCR4POLBKDM4EALDH1A1CHRM5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717639-B1 | POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI | CHELATOR LLC (US) | 2003-04-02 | — | — | EP | disclosed |
| EP-0717639-A4 | POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI | CONCAT LTD (US) | 1998-04-01 | — | — | EP | disclosed |
| EP-0717639-A1 | POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI | CONCAT LTD. (US) | 1996-06-26 | — | — | EP | disclosed |
| US-5409689-A | MRI image enhancement using complexes of paramagnetic cations and amine ligands containing a mixture of phosphonate and non-phosphonate pendant arms | CONCAT, LTD. (US) | 1995-04-25 | — | — | US | disclosed |
| WO-1995005118-A1 | POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI | CONCAT LTD. (US) | 1995-02-23 | — | — | WO | disclosed |