Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | UCHL1 | P09936 | 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 | |
|---|---|---|---|---|
| SCHEMBL30752213 | 0.88 | ESR2 (0.45) | ESR2NR1H2MAPTALDH1A1LMNA | |
| SCHEMBL27042769 | 0.88 | ESR2 (0.45) | ESR2NR1H2MAPTALDH1A1LMNA | |
| SCHEMBL30752215 | 0.84 | ESR2 (0.49) | ESR2NR1H2MAPTALDH1A1LMNA | |
| SCHEMBL27042740 | 0.84 | ESR2 (0.49) | ESR2NR1H2MAPTALDH1A1LMNA | |
| SCHEMBL14101032 | 0.83 | NR1H2 (0.55) | ESR2NR1H2MAPTSTSADORA1 | |
| SCHEMBL13650434 | 0.81 | ESR2 (0.48) | ESR2NR1H2MAPTSTSADORA1 | |
| SCHEMBL17197559 | 0.79 | UCHL1 (0.52) | ESR2NR1H2MAPTALDH1A1LMNA | |
| SCHEMBL15801197 | 0.78 | MAPT (0.58) | MAPTTDP1ALDH1A1LMNACYP2C9 | |
| SCHEMBL27042749 | 0.77 | ESR2 (0.50) | ESR2NR1H2MAPTALDH1A1LMNA | |
| SCHEMBL13645897 | 0.77 | CCR2 (0.49) | — |
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-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 |
| US-7557120-B2 | Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-07-07 | — | — | US | disclosed |
| US-20080081803-A1 | Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2008-04-03 | — | — | US | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-20070004714-A1 | Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-04 | — | — | US | disclosed |
| US-20070004714-A1 | Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-04 | — | — | 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 (2 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 | ESR2 692/4885NR1H2 112/4885MAPT 4627/4885 |
| US-20070004714-A1 | Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity | CCR2, CCR1, CCR8 | ESR2 433/4885NR1H2 188/4885MAPT 4550/4885 |
“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.