Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 10/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 5/20 | 0.36 |
| ▸ | F9 | P00740 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | PLAT | P00750 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6078169 | 0.92 | ALDH1A1 (0.44) | ALDH1A1CYP3A4F2LMNAF11 | |
| SCHEMBL6079284 | 0.89 | ALDH1A1 (0.53) | ALDH1A1CYP3A4F2LMNAF11 | |
| SCHEMBL6076947 | 0.89 | ALDH1A1 (0.42) | ALDH1A1F2LMNAGPR119F10 | |
| SCHEMBL6076830 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP3A4F2LMNAF11 | |
| SCHEMBL6076840 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP3A4F2LMNAF11 | |
| SCHEMBL6078342 | 0.84 | F2 (0.43) | ALDH1A1CYP3A4F2LMNAF11 | |
| SCHEMBL6077670 | 0.81 | F2 (0.46) | ALDH1A1CYP3A4F2LMNAF11 | |
| SCHEMBL6078370 | 0.81 | CYP3A4 (0.40) | ALDH1A1CYP3A4F2LMNAF11 | |
| SCHEMBL6078466 | 0.79 | CYP3A4 (0.45) | ALDH1A1CYP3A4F2LMNAF11 | |
| SCHEMBL6078281 | 0.78 | CYP3A4 (0.42) | ALDH1A1CYP3A4F2LMNAF11 |
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-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 |
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 | ALDH1A1 2954/4885CYP3A4 2153/4885F2 1/4885 |
“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.