Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8117490 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL2257666 | 0.79 | SLC6A2 (0.58) | ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL460150 | 0.79 | SLC6A2 (0.58) | ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL594796 | 0.77 | ALDH1A1 (0.57) | ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL1023795 | 0.76 | ALDH1A1 (0.59) | ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL1492682 | 0.72 | DRD2 (0.56) | DRD3DRD2 | |
| SCHEMBL4900607 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL8572944 | 0.70 | ALDH1A1 (0.50) | ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL5172003 | 0.70 | CHRNB2 (0.56) | ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL7215080 | 0.70 | ALDH1A1 (0.50) | ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5877312-A | Method for preparing alkylating agents for their use for alkylating cyclic ureas | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-02 | — | — | US | claimed |
| US-5637780-A | Method for preparing alkylating agents and their use for alkylating cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-06-10 | — | — | US | claimed |
| EP-0767770-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-16 | — | — | EP | claimed |
| WO-1996000708-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | claimed |
| US-5877312-A | Method for preparing alkylating agents for their use for alkylating cyclic ureas | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| US-5637780-A | Method for preparing alkylating agents and their use for alkylating cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-06-10 | — | — | US | disclosed |
| EP-0767770-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |
| WO-1996000708-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | disclosed |