Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cyclobutylcarbamic Acid Benzyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | GAA | P10253 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | DPP4 | P27487 | 3/20 | 0.59 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | CTSL | P07711 | 1/20 | 0.59 |
| ▸ | CTSB | P07858 | 1/20 | 0.59 |
| ▸ | CTSK | P43235 | 1/20 | 0.59 |
| ▸ | TLR4 | O00206 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 | 0.98 | EPHX1 (0.76) | EPHX1ALDH1A1GAATSHRMEN1 | |
| Bicarbonate SCHEMBL6203780 | 0.95 | EPHX1 (0.82) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL7198149 | 0.95 | EPHX1 (0.81) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL1424064 | 0.94 | EPHX1 (0.84) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL8393719 | 0.94 | EPHX1 (0.84) | EPHX1ALDH1A1GAATSHRMEN1 | |
| Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL27741202 | 0.93 | EPHX1 (0.69) | EPHX1ALDH1A1GAATSHRMEN1 | |
| Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL29047875 | 0.93 | EPHX1 (0.73) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL328941 | 0.93 | EPHX1 (0.69) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL5442663 | 0.92 | EPHX1 (0.68) | EPHX1ALDH1A1GAATSHRMEN1 | |
| SCHEMBL5442669 | 0.92 | EPHX1 (0.68) | EPHX1ALDH1A1GAATSHRMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027107-B1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |
| EP-2357181-A1 | 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases | Boehringer Ingelheim International GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-2027107-A1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007132010-A1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-22 | — | — | WO | disclosed |