Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20495271 | 0.80 | GSK3A (0.35) | GSK3AGSK3BCYP1A2ALDH1A1TRPA1 | |
| SCHEMBL31598498 | 0.80 | GSK3A (0.35) | GSK3AGSK3BCYP1A2ALDH1A1TRPA1 | |
| SCHEMBL11167668 | 0.78 | GSK3A (0.34) | GSK3AGSK3BCYP1A2ALDH1A1TRPA1 | |
| SCHEMBL6208627 | 0.77 | GSK3A (0.33) | GSK3AGSK3BCYP1A2ALDH1A1TRPA1 | |
| SCHEMBL6208633 | 0.77 | GSK3A (0.33) | GSK3AGSK3BCYP1A2ALDH1A1TRPA1 | |
| SCHEMBL736634 | 0.75 | GSK3A (0.40) | GSK3AGSK3BCYP1A2ALDH1A1TRPA1 | |
| SCHEMBL27367444 | 0.72 | NFKB1 (0.38) | GSK3AGSK3BCYP1A2ALDH1A1GAA | |
| SCHEMBL30368181 | 0.70 | TSHR (0.39) | CYP1A2ALDH1A1TSHRHSD17B10KMT2A | |
| SCHEMBL27483872 | 0.69 | NFKB1 (0.32) | NFKB1NFKB2RELA | |
| SCHEMBL7590869 | 0.68 | NFKB1 (0.38) | GSK3AGSK3BCYP1A2ALDH1A1TSHR |
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-6515011-B2 | Anticoagulants | MERCK & CO., INC. | 2003-02-04 | — | — | US | disclosed |
| US-20020119992-A1 | Thrombin inhibitors | MERCK & CO., INC. | 2002-08-29 | — | — | US | disclosed |
| WO-2002050056-A1 | BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-06-27 | — | — | 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-20020119992-A1 | Thrombin inhibitors | SERPINC1, F2, TFPI | GSK3A 1586/4885GSK3B 1131/4885CYP1A2 2628/4885 |
“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.