Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | OGFRL1 | Q5TC84 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1573991 | 1.00 | CCR5 (0.44) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL13720260 | 0.87 | CCR5 (0.49) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL4022749 | 0.87 | CCR5 (0.49) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL3863093 | 0.87 | CCR5 (0.49) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL988877 | 0.87 | CCR5 (0.49) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL4028493 | 0.87 | CCR5 (0.49) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3525571 | 0.86 | CCR5 (0.48) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4160408 | 0.86 | CCR5 (0.48) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1573806 | 0.86 | CCR5 (0.48) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL1573774 | 0.84 | CCR5 (0.44) | CCR5KCNH2CYP2D6LMNASMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140085-B1 | AZABICYCLOALKANES AS CCR5 MODULATORS | PHIVCO UK LTD (GB) | 2011-04-13 | — | — | EP | disclosed |
| US-6586430-B1 | Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders | PFIZER INC. | 2003-07-01 | — | — | US | disclosed |
| US-6531484-B2 | Viricides for preventing infection by HIV, treating infection by HIV, delaying of the onset of AIDS, or treating AIDS | MERCK & CO., INC. | 2003-03-11 | — | — | US | disclosed |
| US-20020198178-A1 | Pyrrolidine modulators of CCR5 chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2002-12-26 | — | — | 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-20020198178-A1 | Pyrrolidine modulators of CCR5 chemokine receptor activity | CCR5, CCR1, CCL5 | CCR5 1/4885KCNH2 1793/4885CYP2D6 3550/4885 |
“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.