Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.46 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.39 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17033315 | 0.84 | KCNJ5 (0.44) | KCNJ5KCNJ3KDM4ECYP2A6CRHBP | |
| SCHEMBL10765457 | 0.83 | KCNJ5 (0.46) | KCNJ5KCNJ3KDM4ECYP2A6CRHBP | |
| SCHEMBL2531566 | 0.81 | ADORA3 (0.41) | KDM4ECYP2A6TAAR1MEN1KMT2A | |
| SCHEMBL17034418 | 0.76 | KCNJ5 (0.47) | KCNJ5KCNJ3KDM4ECYP2A6CRHBP | |
| SCHEMBL4611825 | 0.73 | LMNA (0.43) | PNMTKDM4ECYP2A6ALDH1A1CYP19A1 | |
| SCHEMBL30332313 | 0.73 | LMNA (0.43) | PNMTKDM4ECYP2A6ALDH1A1CYP19A1 | |
| Hydrochloric Acid SCHEMBL2527060 | 0.72 | LMNA (0.42) | PNMTKDM4ECYP2A6ALDH1A1CYP19A1 | |
| SCHEMBL23673329 | 0.72 | KCNJ5 (0.39) | KCNJ5KCNJ3KDM4ECYP2A6CRHBP | |
| SCHEMBL19234731 | 0.72 | KCNJ5 (0.42) | PNMTKCNJ5KCNJ3KDM4ECYP2A6 | |
| SCHEMBL17031834 | 0.72 | KCNJ5 (0.42) | KCNJ5KCNJ3KDM4ECYP2A6CRHBP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7144899-B2 | Thrombin inhibitors | MERCK & CO., INC. (US) | 2006-12-05 | — | — | US | disclosed |
| US-20040073025-A1 | Thrombin inhibitors | MERCK SHARP & DOHME CORP. | 2004-04-15 | — | — | US | disclosed |
| WO-2002064559-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | 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-20040073025-A1 | Thrombin inhibitors | F2, F11, F10 | PNMT 2668/4885KCNJ5 2172/4885KCNJ3 2870/4885 |
“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.