Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | ADAM9 | Q13443 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | FABP7 | O15540 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1239669 | 0.78 | POLB (0.35) | ALDH1A1EPHX2MMP1GAA | |
| SCHEMBL10458255 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MMP9MMP1HTTSMN1; SMN2 | |
| SCHEMBL11387657 | 0.74 | ALDH1A1 (0.46) | ALDH1A1EPHX2CACNA1BMMP9MMP1 | |
| SCHEMBL7494855 | 0.73 | CACNA1B (0.47) | ALDH1A1EPHX2GRIN2BCACNA1BPKM | |
| SCHEMBL7694064 | 0.73 | ALDH1A1 (0.47) | ALDH1A1MMP9MMP1HTTSMN1; SMN2 | |
| SCHEMBL7494862 | 0.73 | CACNA1B (0.47) | ALDH1A1EPHX2GRIN2BCACNA1BPKM | |
| SCHEMBL11129434 | 0.72 | LDHA (0.58) | EPHX2GAA | |
| SCHEMBL10458826 | 0.72 | ALDH1A1 (0.44) | ALDH1A1EPHX2CACNA1BMMP9MMP1 | |
| SCHEMBL10458707 | 0.72 | ALDH1A1 (0.41) | ALDH1A1EPHX2MMP9MMP1GAA | |
| SCHEMBL5895627 | 0.70 | ALDH1A1 (0.49) | ALDH1A1MMP9MMP1GAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-7091211-B2 | Cyclopentyl modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2006-08-15 | — | — | US | disclosed |
| US-20050070609-A1 | Cyclopentyl modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2005-03-31 | — | — | US | disclosed |
| US-6432981-B1 | BLOCKS HUMAN IMMUNODEFICIENCY VIRUS (HIV) FROM ENTERING CELLS; AUTOIMMUNE DISEASES; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS | MERCK & CO., INC. | 2002-08-13 | — | — | US | disclosed |
| WO-2000076514-A1 | 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-20050070609-A1 | Cyclopentyl modulators of chemokine receptor activity | CCR5, CXCR1, ACKR3 | ALDH1A1 1462/4885EPHX2 828/4885GRIN2B 1829/4885 |
“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.