Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 8/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL3314915 | 0.98 | HDAC6 (0.42) | HDAC6HDAC1CXCR4CXCR3KDM4E | |
| SCHEMBL3312846 | 0.93 | HDAC6 (0.48) | HDAC6HDAC1CXCR4CXCR3KDM4E | |
| SCHEMBL3314317 | 0.92 | HDAC6 (0.46) | HDAC6HDAC1CXCR4CXCR3KDM4E | |
| SCHEMBL5576505 | 0.82 | PTPN1 (0.38) | HDAC6HDAC1CXCR4CXCR3KDM4E | |
| SCHEMBL3314918 | 0.80 | CYP19A1 (0.48) | HDAC6CXCR3ALDH1A1CYP19A1PTPN1 | |
| SCHEMBL30338365 | 0.80 | HDAC6 (0.51) | HDAC6HDAC1CXCR4CXCR3PDE4A | |
| SCHEMBL4069997 | 0.79 | PDE4A (0.42) | HDAC6CXCR3ALDH1A1PTPN1PDE4A | |
| SCHEMBL3314059 | 0.79 | CXCR4 (0.56) | CXCR4 | |
| SCHEMBL3312434 | 0.78 | CXCR3 (0.46) | HDAC6CXCR3KDM4EALDH1A1CYP19A1 | |
| SCHEMBL4243043 | 0.77 | CXCR3 (0.50) | HDAC6CXCR3CYP19A1PTPN1PDE4A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100105915-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2010-04-29 | — | — | US | disclosed |
| US-7629337-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2009-12-08 | — | — | US | disclosed |
| US-7183273-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED, INC. (CA) | 2007-02-27 | — | — | US | disclosed |
| US-20060264434-A1 | Chemokine receptor binding heterocyclic compounds | ANORMED INC. (CA) | 2006-11-23 | — | — | US | disclosed |
| EP-1163238-B1 | CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2006-05-31 | — | — | EP | disclosed |
| US-20040235823-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2004-11-25 | — | — | US | disclosed |
| US-6750348-B1 | PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE | ANORMED, INC. (CA) | 2004-06-15 | — | — | 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 (3 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-20060264434-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR4, CXCR1 | HDAC6 1137/4885HDAC1 950/4885CXCR4 2/4885 |
| US-20100105915-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | CXCR4, CCR5, CXCR3 | HDAC6 1168/4885HDAC1 836/4885CXCR4 1/4885 |
| US-20040235823-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR4, CXCR1 | HDAC6 1089/4885HDAC1 1116/4885CXCR4 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.