Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6926591 | 0.84 | F2 (0.49) | PDK2KMT2ACYP1A2CYP2C19F2 | |
| SCHEMBL6925342 | 0.82 | PDK2 (0.52) | PDK2KMT2ACYP1A2CYP2C19THRB | |
| SCHEMBL4023112 | 0.82 | THRB (0.59) | PDK2KMT2ATHRBTDP1CHRM2 | |
| SCHEMBL9859978 | 0.81 | TDP1 (0.65) | PDK2KMT2ACYP1A2CYP2C19THRB | |
| SCHEMBL9671829 | 0.71 | PDK2 (0.49) | PDK2KMT2ACYP1A2CYP2C19LMNA | |
| SCHEMBL6925309 | 0.68 | F2 (0.47) | PDK2KMT2ACYP1A2CYP2C19F2 | |
| SCHEMBL13127985 | 0.67 | PDK2 (1.00) | PDK2KMT2ACYP1A2CYP2C19 | |
| SCHEMBL24372357 | 0.67 | KMT2A (0.51) | PDK2KMT2ACYP1A2CYP2C19THRB | |
| SCHEMBL21380338 | 0.67 | HSD11B1 (0.48) | LMNAKDM4EHTTNPSR1ALDH1A1 | |
| SCHEMBL11990868 | 0.67 | PDK2 (0.56) | PDK2KMT2ACYP1A2CYP2C19THRB |
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 | PDK2 4795/4885KMT2A 2575/4885CYP1A2 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.