Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7039951 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19PDE4ATDP1 | |
| SCHEMBL8692773 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19PDE4ATDP1 | |
| SCHEMBL28103034 | 0.84 | LMNA (0.48) | TDP1L3MBTL1ACHEMAPT | |
| SCHEMBL9590794 | 0.84 | LDHA (0.55) | CYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL7042336 | 0.82 | TP53 (0.56) | PDE4ATDP1L3MBTL1ACHEKMT2A | |
| SCHEMBL27672272 | 0.81 | ALDH1A1 (0.51) | PDE4ATDP1L3MBTL1ACHEKMT2A | |
| Ammonia Solution, Strong SCHEMBL8976449 | 0.81 | PDE4A (0.51) | PDE4ATDP1L3MBTL1ACHEKMT2A | |
| SCHEMBL14032377 | 0.79 | ACHE (0.51) | CYP1A2CYP2C19TDP1L3MBTL1ACHE | |
| SCHEMBL28107955 | 0.79 | EPHX1 (0.62) | CYP1A2CYP2C19PDE4AACHE | |
| SCHEMBL9340944 | 0.79 | SIGMAR1 (0.61) | KMT2AMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| US-5776983-A | ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-07-07 | — | — | US | disclosed |
| US-5723489-A | ADRENERGIC BLOCKING AGENTS OR STIMULANTS FOR GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-03-03 | — | — | US | disclosed |
| US-5714506-A | ALSO FOR REDUCING LEVELS OF TRIGLYCERIDES AND CHOLESTEROL OR TREATING ATHEROSCLEROSIS | MERCK & CO., INC. (US) | 1998-02-03 | — | — | US | disclosed |
| US-5541204-A | Aryloxypropanolamine β 3 adrenergic agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0714883-A1 | Aryloxypropanolamine beta 3 adrenergic agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |
| US-4536599-A | HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-08-20 | — | — | US | disclosed |
| EP-0008532-B1 | SYNTHESIS OF AMINES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-07-20 | — | — | EP | disclosed |
| EP-0008532-A1 | Synthesis of amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-03-05 | — | — | EP | disclosed |