Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 2/20 | 0.34 |
| ▸ | ADH1C | P00326 | 2/20 | 0.34 |
| ▸ | ADH1A | P07327 | 2/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 2/20 | 0.32 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ADH7 | P40394 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10975393 | 0.72 | EPHX1 (0.40) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL24017221 | 0.72 | ALDH1A1 (0.45) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL19803410 | 0.69 | — | — | |
| SCHEMBL11853895 | 0.69 | EPHX1 (0.44) | ALDH1A1HSD17B10ANPEPERAP2CA1 | |
| SCHEMBL4779097 | 0.69 | GAA (0.42) | ALDH1A1HSD17B10ANPEPERAP2CA1 | |
| SCHEMBL23096785 | 0.69 | ALDH1A1 (0.41) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL176076 | 0.69 | EPHX1 (0.39) | KDM4ELMNAEPHX1SMN1; SMN2TP53 | |
| SCHEMBL8140981 | 0.68 | KDM4E (0.32) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| Hydrochloric Acid SCHEMBL11553334 | 0.67 | GAA (0.41) | ALDH1A1HSD17B10ANPEPERAP2CA1 | |
| Hydrochloric Acid SCHEMBL4409590 | 0.67 | KDM4E (0.38) | KDM4ELMNAEPHX1SMN1; SMN2TP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0571114-B1 | Polish containing silylated derivatives of organic amines and epoxides | DOW CORNING (US) | 1996-01-31 | — | — | EP | claimed |
| EP-1228052-B1 | 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS | MERZ PHARMA GMBH & CO KGAA (DE) | 2007-05-02 | — | — | EP | disclosed |
| EP-1228052-A1 | 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS | Merz Pharmaceuticals GmbH (DE) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032640-A1 | 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS | MERZ PHARMACEUTICALS GMBH (DE) | 2001-05-10 | — | — | WO | disclosed |
| US-5084544-A | Reaction of polyepoxides and polyisocyanates to form polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1992-01-28 | — | — | US | disclosed |
| US-3946033-A | FROM GLYCINE DERIVATIVE, PRIMARY AMINE, DIARYL CARBONATE | TEIJIN LTD. (JA) | 1976-03-23 | — | — | US | disclosed |