Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.87 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.59 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.59 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1573831 | 1.00 | CCR5 (1.00) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL1574386 | 1.00 | CCR5 (1.00) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL7244123 | 1.00 | CCR5 (1.00) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL7241883 | 1.00 | CCR5 (1.00) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL7241878 | 1.00 | CCR5 (1.00) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| Hydrochloric Acid SCHEMBL1574201 | 0.99 | CCR5 (0.98) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| Hydrochloric Acid SCHEMBL1574200 | 0.99 | CCR5 (0.98) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| Oxogranatane SCHEMBL1574128 | 0.93 | CCR5 (1.00) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL7237629 | 0.93 | CCR5 (1.00) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 | |
| SCHEMBL1573985 | 0.93 | CCR5 (1.00) | CCR5KCNH2CYP3A4ADRA2ACYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230364085-A1 | USE OF MODULATORS OF CCR5 IN THE TREATMENT OF CANCER AND CANCER METASTASIS | PESTELL RICHARD G (US) | 2023-11-16 | — | — | US | disclosed |