Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2644701 | 0.80 | KDM1A (0.34) | IDO1KMT2AHPGDKDM4ENPC1 | |
| SCHEMBL2646348 | 0.75 | CUL4A (0.33) | HTR2CHTR2BCA1 | |
| SCHEMBL14940009 | 0.67 | MAPT (0.61) | CYP19A1HTR2BKMT2AHPGDHTT | |
| SCHEMBL16936925 | 0.67 | KDM4E (0.48) | TAAR1IDO1CYP19A1HTR2AHTR2C | |
| SCHEMBL10339133 | 0.67 | GRM5 (0.43) | TAAR1IDO1CYP19A1HTR2AHTR2C | |
| SCHEMBL10339132 | 0.67 | GRM5 (0.43) | TAAR1IDO1CYP19A1HTR2AHTR2C | |
| SCHEMBL29851825 | 0.66 | KDM4E (0.67) | TAAR1IDO1CYP19A1HTR2AHTR2C | |
| SCHEMBL15619911 | 0.66 | KDM4E (0.67) | TAAR1IDO1CYP19A1HTR2AHTR2C | |
| SCHEMBL24950120 | 0.64 | TAAR1 (0.48) | TAAR1IDO1CYP19A1HTR2AHTR2C | |
| SCHEMBL25422037 | 0.63 | HTR2A (0.43) | TAAR1CYP19A1HTR2AHTR2CHTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1121361-B1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2007-08-29 | — | — | EP | disclosed |
| US-6476030-B1 | Pyrazolo-triazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. | 2002-11-05 | — | — | US | disclosed |
| EP-1121361-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | Merck Sharp & Dohme Limited (GB) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000023449-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-04-27 | — | — | WO | disclosed |