Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL28867159 | 0.79 | NOTUM (0.40) | NOTUMCYP11B1GRM1HCRTR1HCRTR2 | |
| SCHEMBL16114399 | 0.75 | ALDH1A1 (0.49) | ALDH1A1NPSR1NOTUMKDM4EKMT2A | |
| SCHEMBL9943774 | 0.75 | ALDH1A1 (0.49) | ALDH1A1NPSR1NOTUMKDM4EKMT2A | |
| SCHEMBL4926658 | 0.75 | ALDH1A1 (0.53) | ALDH1A1NPSR1NOTUMKDM4EKMT2A | |
| SCHEMBL5856346 | 0.74 | CYP2A6 (0.44) | ALDH1A1CYP11B1KDM4EGRM1GAA | |
| SCHEMBL21486439 | 0.73 | NPC1 (0.45) | ALDH1A1NOTUMCYP11B1KDM4EKMT2A | |
| SCHEMBL12615992 | 0.72 | ALDH1A1 (0.68) | ALDH1A1NPSR1NOTUMKDM4EKMT2A | |
| SCHEMBL5855553 | 0.71 | ALDH1A1 (0.45) | ALDH1A1NPSR1NOTUMKDM4EKMT2A | |
| SCHEMBL610743 | 0.70 | CYP11B1 (0.41) | CYP11B1GRM1HCRTR1HCRTR2GAA | |
| SCHEMBL30664780 | 0.70 | ALDH1A1 (0.52) | ALDH1A1CYP11B1KDM4EGRM1MAPT |
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 10 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-7026324-B2 | Thrombin inhibitors | MERCK & CO., INC. (US) | 2006-04-11 | — | — | US | disclosed |
| US-20040097730-A1 | Thrombin inhibitors | MERCK & CO., INC. | 2004-05-20 | — | — | US | disclosed |
| US-20040073025-A1 | Thrombin inhibitors | MERCK SHARP & DOHME CORP. | 2004-04-15 | — | — | US | disclosed |
| EP-1359913-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6610701-B2 | For therapy and prophylaxis of blood coagulation and cardiovascular disorders | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| US-20020193398-A1 | Thrombin inhibitors | MERCK & CO., INC. | 2002-12-19 | — | — | US | disclosed |
| WO-2002064140-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |
| WO-2002064211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | 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 (3 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-20040097730-A1 | Thrombin inhibitors | F3, F2, SERPINC1 | ALDH1A1 3936/4885NPSR1 772/4885NOTUM 1910/4885 |
| US-20020193398-A1 | Thrombin inhibitors | F2, F3, TFPI | ALDH1A1 3527/4885NPSR1 1603/4885NOTUM 670/4885 |
| US-20040073025-A1 | Thrombin inhibitors | F2, F11, F10 | ALDH1A1 2954/4885NPSR1 309/4885NOTUM 1633/4885 |
“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.