Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL6924317 | 0.82 | CA12 (0.43) | CA12CA1CA2CA9CA14 | |
| Hydrogen Sulfide SCHEMBL27727970 | 0.76 | CA12 (0.53) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3227023 | 0.75 | MMP1 (0.50) | AKR1B1DUSP3PTPN5PTPN11CTDSP1 | |
| SCHEMBL2076830 | 0.74 | CA12 (0.65) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1000794 | 0.73 | NR1H4 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7176319 | 0.72 | EGFR (0.55) | CA1CA2EGFRSUCNR1 | |
| SCHEMBL6355405 | 0.72 | CA12 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6350965 | 0.72 | CA12 (0.71) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5984166 | 0.70 | BCAT2 (0.49) | NR1H2NR1H3AKR1B1NR1H4RXRA | |
| SCHEMBL7173663 | 0.70 | MTNR1A (0.50) | EGFRMTNR1AMTNR1BPTGS1 |
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 | CA12 813/4885CA1 1232/4885CA2 201/4885 |
“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.