Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2278168 | 0.83 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL2097486 | 0.83 | GSK3B (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL27778655 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL12430464 | 0.82 | TSHR (0.57) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL1443571 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL243504 | 0.81 | GSK3B (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL7620529 | 0.81 | GSK3B (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL6279999 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| Hydrochloric Acid SCHEMBL17823285 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL4621038 | 0.79 | PIM1 (0.55) | ACHEMAOAMAOBHDAC1HDAC6 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114906-B1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2014-08-06 | — | — | EP | disclosed |
| US-8604061-B2 | 2-aminooxazolines as TAAR1 ligands | HOFFMANN-LA ROCHE INC. (US) | 2013-12-10 | — | — | US | disclosed |
| US-20120196903-A1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS | GALLEY GUIDO (DE) | 2012-08-02 | — | — | US | disclosed |
| US-7863444-B2 | 4-aminopyrrolopyrimidines as kinase inhibitors | ABBOTT LABORATORIES (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100120864-A1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS | GALLEY GUIDO | 2010-05-13 | — | — | US | disclosed |
| CN-101600700-A | Novel 2-aminooxazolines as TAAR1 ligands for CNS disorders | HOFFMANN LA ROCHE (CH) | 2009-12-09 | — | — | CN | disclosed |
| EP-2114906-A1 | NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| US-20080261920-A1 | 2-Aminooxazolines as TAAR1 ligands | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-23 | — | — | US | disclosed |
| WO-2008092785-A1 | NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-07 | — | — | WO | disclosed |
| US-6150303-A | Substituted 3-phenylisoxazolines | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-21 | — | — | US | disclosed |
| US-5973164-A | Preparation of substituted 3-aryl-5-haloalkyl-pyrazoles having herbicidal activity | MONSANTO COMPANY (US) | 1999-10-26 | — | — | US | disclosed |
| US-5969153-A | CONDENSING A PHENYL DIKETONE WITH HYDRAZINE IN SOLVENT, THEN ALKYLATION | MONSANTO COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0923520-A2 | PREPARATION OF SUBSTITUTED 3-ARYL-5-HALOALKYL-PYRAZOLES HAVING HERBICIDAL ACTIVITY | MONSANTO COMPANY (US) | 1999-06-23 | — | — | EP | disclosed |
| US-5910596-A | ESTERS OF 3-(CARBOXYPHENYL)-5-HALOALKYL PYRAZOLES PREPARED BY HALOGENATION OF THE ACID TO FORM ACID HALIDE FOLLOWED BY TREATING WITH AN ALCOHOL/ACYL HALIDE MIXTURE | MONSANTO COMPANY (US) | 1999-06-08 | — | — | US | disclosed |
| US-5900489-A | BROMINATION | MONSANTO COMPANY (US) | 1999-05-04 | — | — | US | disclosed |
| US-5883263-A | Preparation of substituted 3-aryl-5-haloalkyl-pyrazoles having herbicidal activity | MONSANTO COMPANY (US) | 1999-03-16 | — | — | US | disclosed |
| US-5880290-A | FORMING PHENYL-DIKETONES, FORMING, ALKYLATING PYRAZOLES, HALOGENATION OF HETEROCYCLICS, OXIDIZING ALKYL SUBSTITUTED BENZENES AND ESTERIFICATION; REGIOSELECTIVITY FOR 3-ARYL ISOMER BY ALKYLATING THE INTERMEDIATE UNDER ACIDIC CONDITIONS | MONSANTO COMPANY (US) | 1999-03-09 | — | — | US | disclosed |
| US-5869688-A | OXIDIZING THE ALKYL SUBSTITUENT OF A BENZENE SUBSTRATE IN THE PRESENCE OF A CATALYST | MONSANTO COMPANY (US) | 1999-02-09 | — | — | US | disclosed |
| WO-1997048668-A2 | PREPARATION OF SUBSTITUTED 3-ARYL-5-HALOALKYL-PYRAZOLES HAVING HERBICIDAL ACTIVITY | MONSANTO COMPANY (US) | 1997-12-24 | — | — | WO | disclosed |
| US-5698708-A | ALKYLATION; OXIDATION; ESTERIFICATION; CYCLIZATION | MONSANTO COMPANY (US) | 1997-12-16 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100120864-A1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS | TAAR1, TAAR5, NPY2R | CYP1A2 252/4885CYP3A4 790/4885CYP2C9 571/4885 |
| US-20120196903-A1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS | TAAR1, TAAR5, NPY2R | CYP1A2 265/4885CYP3A4 800/4885CYP2C9 610/4885 |
| US-20080261920-A1 | 2-Aminooxazolines as TAAR1 ligands | TAAR1, TAAR5, NPY2R | CYP1A2 252/4885CYP3A4 790/4885CYP2C9 571/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.