Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7006090 | 1.00 | TSHR (0.52) | TSHRTDP1L3MBTL1NAAAHRH4 | |
| Water SCHEMBL28780406 | 0.90 | TSHR (0.64) | TSHRTDP1L3MBTL1NAAAHRH4 | |
| SCHEMBL6998625 | 0.89 | TDP1 (0.54) | TSHRTDP1L3MBTL1HRH4HRH3 | |
| SCHEMBL6999489 | 0.89 | TDP1 (0.54) | TSHRTDP1L3MBTL1HRH4HRH3 | |
| SCHEMBL1066576 | 0.88 | TSHR (0.67) | TSHRTDP1L3MBTL1NAAAHRH4 | |
| SCHEMBL6996517 | 0.87 | L3MBTL1 (0.60) | TSHRTDP1L3MBTL1NAAAHRH4 | |
| SCHEMBL7003895 | 0.87 | L3MBTL1 (0.60) | TSHRTDP1L3MBTL1NAAAHRH4 | |
| SCHEMBL7006623 | 0.86 | L3MBTL1 (0.63) | TSHRTDP1L3MBTL1NAAAHRH4 | |
| SCHEMBL7001416 | 0.86 | L3MBTL1 (0.63) | TSHRTDP1L3MBTL1NAAAHRH4 | |
| SCHEMBL7003028 | 0.86 | L3MBTL1 (0.63) | TSHRTDP1L3MBTL1NAAAHRH4 |
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 14 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 |
| CN-101472937-A | Benzylphenylglucopyranoside Derivatives | DAIICHI SANKYO CO LTD (JP) | 2009-07-01 | — | — | CN | disclosed |
| CN-1122033-C | Triazolopurine derivatives, pharmaceutical compositions containing the same | OTSUKE PHARMACEUTICAL FACTORY (JP) | 2003-09-24 | — | — | CN | disclosed |
| EP-1069126-B1 | TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY | OTSUKA PHARMA CO LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-6288070-B1 | Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-09-11 | — | — | US | disclosed |
| CN-1301266-A | Triazolopurine derivatives, pharmaceutical composition containing the same, adenosine A3 receptor affinity agent, and asthma therapeutic agent | OTSUKA PHARMACEUITCAL FACTORY (JP) | 2001-06-27 | — | — | CN | disclosed |
| EP-1069126-A1 | TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-01-17 | — | — | EP | disclosed |
| 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 |