Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5896049 | 0.82 | USP2 (0.42) | USP2TSHRALDH1A1 | |
| SCHEMBL5895682 | 0.76 | CYP2D6 (0.33) | CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL5748187 | 0.76 | CYP3A4 (0.36) | CYP2D6CYP2C19CYP3A4MEN1MAPK1 | |
| SCHEMBL5897337 | 0.74 | CYP3A4 (0.35) | CYP2D6CYP2C19CYP3A4MEN1MAPK1 | |
| SCHEMBL20898698 | 0.70 | USP2 (0.38) | CYP2D6CYP2C19CYP3A4MEN1MAPK1 | |
| SCHEMBL5896735 | 0.70 | APP (0.30) | — | |
| SCHEMBL23536632 | 0.69 | VNN1 (0.38) | CYP2D6CYP2C19CYP3A4MEN1MAPK1 | |
| SCHEMBL1315531 | 0.68 | CYP2D6 (0.35) | CYP2D6CYP2C19CYP3A4MEN1MAPK1 | |
| SCHEMBL28170910 | 0.68 | CYP3A4 (0.34) | CYP2D6CYP2C19CYP3A4MEN1MAPK1 | |
| SCHEMBL1146905 | 0.68 | CYP4F2 (0.38) | CYP2C19CYP3A4MEN1MAPK1KMT2A |
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 2 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 |
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 | CYP2D6 1786/4885CYP2C19 1863/4885CYP3A4 2121/4885 |
“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.