Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL15535487 | 0.87 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Water SCHEMBL10609439 | 0.87 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL7006090 | 0.86 | TSHR (0.52) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL7001053 | 0.86 | TSHR (0.52) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL27380 | 0.84 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| Benzene SCHEMBL27997624 | 0.84 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL5311581 | 0.84 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL6998625 | 0.82 | TDP1 (0.54) | TSHRIDO1 | |
| SCHEMBL6999489 | 0.82 | TDP1 (0.54) | TSHRIDO1 | |
| Ethylene SCHEMBL27462430 | 0.82 | TSHR (0.83) | TSHRIDO1AGXTCA1CA2 |
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 23 patents — showing the first 20. 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-100363390-C | Process for the preparation of hydroxy-vinyl-aromatic polymers or copolymers by anionic or controlled radical polymerization | CIBA SC HOLDING AG (CH) | 2008-01-23 | — | — | CN | disclosed |
| CN-1741999-A | Pyridazinone derivatives as GSK-3 beta inhibitors | AVENTIS PHARMA GMBH (DE) | 2006-03-01 | — | — | CN | disclosed |
| CN-1711290-A | Method for producing hydroxy-vinyl-aromatic polymers or copolymers by anionic or controlled radical polymerization | CIBA SC HOLDING AG (CH) | 2005-12-21 | — | — | 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 |
| 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-0524419-B1 | Heat-sensitive recording materials and phenol compounds | MITSUI TOATSU CHEMICALS (JP) | 1995-09-06 | — | — | EP | disclosed |
| US-5391806-A | A storage stable chromogens as color-developing agent or stabilizers | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-02-21 | — | — | US | disclosed |
| US-5306688-A | Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion | MITSUI TOATSU CHEMICALS, INC. (JP) | 1994-04-26 | — | — | US | disclosed |
| US-5270281-A | Chromogenic compound | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1993-12-14 | — | — | US | disclosed |
| EP-0534257-A1 | Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-03-31 | — | — | EP | disclosed |
| EP-0524419-A1 | Heat-sensitive recording materials and phenol compounds | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-01-27 | — | — | EP | disclosed |
| US-RE30574-E | PREEMERGENT AND POSTEMERGENT | SHELL OIL COMPANY (US) | 1981-04-14 | — | — | US | disclosed |
| US-4116669-A | Herbicidal tetrahydrofuran derivatives | SHELL OIL COMPANY (US) | 1978-09-26 | — | — | US | disclosed |