Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALAD | P13716 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL160666 | 0.81 | ALDH1A1 (0.36) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL5292745 | 0.81 | DAO (0.55) | ALDH1A1NPSR1DAOHPGDSCTPS1 | |
| SCHEMBL13141281 | 0.80 | MAPT (0.42) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL16753610 | 0.79 | DAO (0.47) | ALDH1A1GSK3BMAPTHSD17B10DAO | |
| SCHEMBL5857383 | 0.79 | GSK3B (0.51) | ALDH1A1GSK3BMAPTNPSR1DAO | |
| SCHEMBL1529765 | 0.79 | CES2 (0.59) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL7647753 | 0.78 | CES2 (0.64) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL23092955 | 0.77 | ALDH1A1 (0.37) | ALDH1A1DAOHPGDSCTPS1 | |
| SCHEMBL15057163 | 0.77 | CA12 (0.39) | ALDH1A1LMNAGSK3BMAPTMAPK1 | |
| SCHEMBL18153026 | 0.77 | ALDH1A1 (0.37) | ALDH1A1MAPTHSD17B10SMN1; SMN2DAO |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3283464-B1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-10081617-B2 | Factor XIa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-09-25 | — | — | US | disclosed |
| US-20180079743-A1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-03-22 | — | — | US | disclosed |
| EP-3283464-A1 | FACTOR XIa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-02-21 | — | — | EP | disclosed |
| EP-2794597-B1 | PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS | ONO PHARMACEUTICAL CO (JP) | 2017-11-15 | — | — | EP | disclosed |
| WO-2016168098-A1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-10-20 | — | — | WO | disclosed |
| EP-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | 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-20100160327-A1 | Modified Malonate Derivatives | ME2, ME3, ME1 | CES2 3588/4885CES1 2205/4885ALDH1A1 784/4885 |
| US-20180079743-A1 | FACTOR XIa INHIBITORS | F11, F2, TFPI | CES2 3413/4885CES1 479/4885ALDH1A1 3638/4885 |
| US-10081617-B2 | Factor XIa inhibitors | F11, F2, TFPI | CES2 3413/4885CES1 479/4885ALDH1A1 3638/4885 |
“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.