Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL27667692 | 0.72 | TSHR (0.52) | KMT2ACA1CA2IDO1 | |
| SCHEMBL2982874 | 0.72 | POLB (0.39) | IDO1 | |
| Hydroquinone SCHEMBL4599601 | 0.72 | ESR1 (0.38) | KMT2ACA1CA2 | |
| SCHEMBL8337265 | 0.71 | PTPN2 (0.33) | — | |
| SCHEMBL7226276 | 0.71 | — | — | |
| SCHEMBL28145 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL2409494 | 0.69 | TSHR (0.39) | CA1CA2IDO1 | |
| SCHEMBL683167 | 0.68 | AGXT (0.48) | CA1CA2IDO1 | |
| SCHEMBL8968738 | 0.68 | TAAR1 (0.45) | KMT2ACA2IDO1 | |
| SCHEMBL683150 | 0.68 | TDP1 (0.37) | IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |