Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | NMT1 | P30419 | 5/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KHK | P50053 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5764095 | 0.99 | KCNJ1 (0.47) | KCNJ1KCNH2HRH3NMT1SLC6A4 | |
| Hydrochloric Acid SCHEMBL18280055 | 0.81 | GBA1 (0.47) | KCNJ1KCNH2HRH3SLC6A4ALDH1A1 | |
| SCHEMBL7493812 | 0.74 | HRH3 (0.43) | HRH3NMT1SLC6A4ITGB3ITGA2B | |
| SCHEMBL11401683 | 0.74 | PRMT5 (0.58) | KCNH2HRH3NMT1SLC6A4ITGB3 | |
| SCHEMBL17484487 | 0.73 | KCNJ1 (0.42) | KCNJ1KCNH2HRH3ALDH1A1ALOX15 | |
| SCHEMBL7493566 | 0.73 | SLC6A4 (0.46) | HRH3NMT1SLC6A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5763270 | 0.72 | HRH3 (0.42) | HRH3NMT1SLC6A4ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL5765723 | 0.72 | SLC6A4 (0.45) | HRH3NMT1SLC6A4ALDH1A1 | |
| SCHEMBL11338421 | 0.72 | SLC6A4 (0.40) | KCNH2HRH3NMT1SLC6A4ITGB3 | |
| SCHEMBL297781 | 0.71 | KCNH2 (0.80) | KCNJ1KCNH2SLC6A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192133-B1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-11-02 | — | — | EP | disclosed |
| US-6593346-B2 | Substituted 3-(piperidin-1-ylmethyl)cyclopentylamines, useful as modulators of the chemokine receptors CCR-5 and/or CC R-3. | MERCK & CO. INC. | 2003-07-15 | — | — | US | disclosed |
| US-20020120146-A1 | N-cyclopentyl modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2002-08-29 | — | — | US | disclosed |
| EP-1192133-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| US-6358979-B1 | FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |
| WO-2000076972-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | 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-20020120146-A1 | N-cyclopentyl modulators of chemokine receptor activity | CCR1, CCR3, CCR5 | KCNJ1 4593/4885KCNH2 3461/4885HRH3 311/4885 |
“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.