Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565085 | 0.84 | CYP11B1 (0.40) | CYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL10702777 | 0.82 | ALDH1A1 (0.42) | CYP11B1CYP11B2GAAESR1ESR2 | |
| SCHEMBL27944345 | 0.82 | CYP11B1 (0.39) | CYP11B1CYP11B2ESR1ESR2CYP1A2 | |
| SCHEMBL9176198 | 0.80 | ESR1 (0.39) | CYP11B1CYP11B2CES2CES1GAA | |
| SCHEMBL9510754 | 0.80 | RAB9A (0.41) | CYP11B1CYP11B2TSHRLMNACYP1A2 | |
| SCHEMBL29724711 | 0.77 | AKR1C3 (0.59) | SMN1; SMN2AKR1C3AKR1C2APPPTGS1 | |
| SCHEMBL7037138 | 0.77 | AKR1C3 (0.59) | SMN1; SMN2AKR1C3AKR1C2APPPTGS1 | |
| SCHEMBL13776977 | 0.77 | AKR1C3 (0.59) | SMN1; SMN2AKR1C3AKR1C2APPPTGS1 | |
| SCHEMBL3718088 | 0.77 | CES2 (0.39) | CES2CES1SMN1; SMN2ESR1ESR2 | |
| SCHEMBL6565095 | 0.77 | ESR1 (0.43) | CYP11B1CYP11B2GAAAKR1C3ESR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7598243-B2 | inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| EP-1622916-A4 | HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-11-05 | — | — | EP | disclosed |
| US-20080081803-A1 | Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2008-04-03 | — | — | US | disclosed |
| EP-1622916-A2 | HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004094371-A2 | HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-11-04 | — | — | WO | 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-20080081803-A1 | Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity | CCR1, CCR5, CCR2 | CYP11B1 712/4885CYP11B2 567/4885CES2 804/4885 |
“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.