Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MAN2A1 | Q16706 | 1/20 | 0.35 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28643037 | 0.84 | TACR1 (0.56) | TACR1TSHRCA1CA2CA7 | |
| SCHEMBL8333871 | 0.77 | SLC6A2 (0.42) | TACR1TSHRCHRNB2CHRNA4SLC6A2 | |
| SCHEMBL27439600 | 0.77 | SLC6A2 (0.42) | TACR1TSHRCHRNB2CHRNA4SLC6A2 | |
| SCHEMBL7003465 | 0.73 | TSHR (0.62) | TACR1TSHRCA1CA2CA7 | |
| SCHEMBL1521021 | 0.69 | TACR1 (0.59) | TACR1TSHRCA1CA2CA7 | |
| SCHEMBL27475759 | 0.68 | CA1 (0.35) | TACR1TSHRCA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL14686335 | 0.68 | TACR1 (0.57) | TACR1TSHRCA1CA2CA7 | |
| SCHEMBL8752385 | 0.68 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL21239604 | 0.68 | TACR1 (0.61) | TACR1TSHRCA1CA2CA7 | |
| SCHEMBL4535810 | 0.68 | TSHR (0.58) | TACR1TSHRCA1CA2CA7 |
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 7 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 |
| 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 |