Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 16/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7068213 | 0.89 | CXCR4 (0.41) | HDAC1HDAC6CXCR4ADORA2A | |
| SCHEMBL6047442 | 0.82 | CXCR4 (0.46) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL2507430 | 0.80 | CXCR4 (0.40) | HDAC1HDAC6CXCR4 | |
| SCHEMBL5054298 | 0.80 | CXCR4 (0.47) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL7068533 | 0.78 | CXCR4 (0.38) | HDAC1HDAC6CXCR4ADORA2A | |
| SCHEMBL6047459 | 0.77 | HDAC1 (0.41) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL5103868 | 0.77 | NPC1 (0.40) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL4761081 | 0.76 | HDAC1 (0.39) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL6047369 | 0.76 | CXCR4 (0.48) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL5112746 | 0.74 | CXCR4 (0.52) | CXCR4CYP2D6 |
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-20030220341-A1 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | ANORMED, INC. (CA) | 2003-11-27 | — | — | 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-20030220341-A1 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | CCR5, CXCR4, CXCR3 | HDAC1 1094/4885HDAC6 1371/4885CXCR4 2/4885 |
“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.