Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 10/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3936352 | 0.79 | AURKA (0.50) | NUDT1AURKACYP2C9NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL9396770 | 0.78 | AURKA (0.49) | NUDT1AURKACYP2C9NOS1NOS2 | |
| SCHEMBL4719992 | 0.78 | NUDT1 (0.53) | NUDT1AURKACYP2C9NOS1NOS2 | |
| SCHEMBL14131209 | 0.75 | CXCR4 (0.81) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL30096603 | 0.75 | CXCR4 (0.81) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL21101252 | 0.74 | CXCR4 (0.46) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4773954 | 0.74 | NUDT1 (0.59) | NUDT1AURKACYP2C9NOS1NOS2 | |
| SCHEMBL24823966 | 0.74 | NUDT1 (0.45) | NUDT1CYP2C9NOS1NOS2DRD4 | |
| SCHEMBL2314765 | 0.71 | DDAH1 (0.55) | NUDT1AURKACYP2C9NOS1NOS2 | |
| SCHEMBL7002580 | 0.70 | NUDT1 (0.58) | NUDT1AURKACYP2C9NOS1NOS2 |
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-10322111-B2 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | GENZYME CORPORATION (US) | 2019-06-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10322111-B2 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | CCR5, CXCR4, CXCR3 | CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.