Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.40 |
| ▸ | CCL5 | P13501 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC34A1 | Q06495 | 3/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL4754650 | 0.84 | CCR5 (0.39) | CCR5CCL5KCNH2HCRTR1HCRTR2 | |
| SCHEMBL5664047 | 0.80 | CCR5 (0.43) | CCR5CCL5KCNH2HCRTR1HCRTR2 | |
| SCHEMBL4752682 | 0.79 | CCR5 (0.40) | CCR5CCL5KCNH2HCRTR1HCRTR2 | |
| SCHEMBL4750727 | 0.79 | HCRTR1 (0.44) | CCR5CCL5KCNH2HCRTR1HCRTR2 | |
| SCHEMBL3286468 | 0.77 | CCR5 (0.52) | CCR5CCL5KCNH2 | |
| SCHEMBL4693570 | 0.77 | CCR5 (0.52) | CCR5CCL5KCNH2 | |
| SCHEMBL4969362 | 0.77 | CCR5 (0.48) | CCR5CCL5KCNH2HCRTR1HCRTR2 | |
| SCHEMBL4757058 | 0.77 | CCL5 (0.43) | CCR5CCL5KCNH2HCRTR1HCRTR2 | |
| SCHEMBL4691489 | 0.77 | CCR5 (0.43) | CCR5CCL5KCNH2HCRTR1HCRTR2 | |
| SCHEMBL4756168 | 0.77 | CCR5 (0.43) | CCR5CCL5KCNH2HCRTR1HCRTR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987036-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | claimed |
| WO-2007093520-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-23 | — | — | WO | claimed |
| US-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | US | claimed |
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-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | CCR5, CXCR1, CXCR3 | CCR5 1/4885CCL5 13/4885KCNH2 1046/4885 |
“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.