Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5107791 | 0.98 | CES2 (0.44) | CES2CES1GSK3BDAOLMNA | |
| Hydrochloric Acid SCHEMBL11548371 | 0.84 | HDAC3 (0.44) | GSK3BLMNATSHRHPGDALDH1A1 | |
| SCHEMBL64687 | 0.79 | HDAC3 (0.58) | CES2CES1GSK3BDAOLMNA | |
| SCHEMBL3958438 | 0.78 | HDAC3 (0.57) | CES2CES1GSK3BDAOLMNA | |
| SCHEMBL3133918 | 0.77 | ALDH1A1 (0.46) | GSK3BDAOLMNAHPGDALDH1A1 | |
| SCHEMBL1164276 | 0.77 | CES2 (0.60) | CES2CES1GSK3BDAOLMNA | |
| SCHEMBL19224033 | 0.74 | CES2 (0.47) | CES2CES1GSK3BDAOLMNA | |
| SCHEMBL490430 | 0.74 | GSK3B (0.54) | CES2CES1GSK3BDAOLMNA | |
| SCHEMBL1545361 | 0.73 | ALDH1A1 (0.46) | CES2CES1LMNATSHRHPGD | |
| SCHEMBL1245254 | 0.73 | CES2 (0.46) | CES2CES1GSK3BDAOLMNA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018067512-A1 | SPIROCYCLIC COMPOUNDS | KALYRA PHARMACEUTICALS, INC. (US) | 2018-04-12 | — | — | WO | disclosed |
| EP-2260031-B1 | COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2015-10-07 | — | — | EP | disclosed |
| EP-2260031-B1 | COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2015-10-07 | — | — | EP | disclosed |
| US-8716483-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-05-06 | — | — | US | disclosed |
| US-8716483-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-05-06 | — | — | US | disclosed |
| US-8716483-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-05-06 | — | — | US | disclosed |
| US-20110189192-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2011-08-04 | — | — | US | disclosed |
| US-20110189192-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2011-08-04 | — | — | US | disclosed |
| US-20110189192-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2011-08-04 | — | — | US | disclosed |
| EP-2260031-A1 | COMPOUNDS THAT ARE ERK INHIBITORS | Schering Corporation (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009105500-A1 | COMPOUNDS THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2009-08-27 | — | — | WO | disclosed |
| WO-2009105500-A1 | COMPOUNDS THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2009-08-27 | — | — | WO | disclosed |
| WO-2005014588-A1 | SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY | ARGENTA DISCOVERY LIMITED (GB) | 2005-02-17 | — | — | 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-20110189192-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAPK4, MAPK10 | CES2 4480/4885CES1 2631/4885GSK3B 974/4885 |
“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.