Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.54 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.54 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.47 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4989765 | 0.84 | TAAR1 (0.55) | GRM2GRM3HTR2ATAAR1GABBR2 | |
| SCHEMBL13917993 | 0.82 | GRM2 (0.68) | GRM2GRM3HRH1HTR2ATAAR1 | |
| SCHEMBL4993935 | 0.81 | GABBR2 (0.49) | GRM2GRM3HTR2ATAAR1GABBR2 | |
| SCHEMBL7390788 | 0.77 | GRIK1 (0.54) | CYP1A2SLC1A2SLC1A1 | |
| SCHEMBL13917992 | 0.74 | GRIK1 (0.69) | HTR2ACYP1A2FOLH1LMNAMAPK1 | |
| SCHEMBL4985838 | 0.74 | CYP1A2 (0.55) | CYP1A2SLC1A2SLC1A1FOLH1 | |
| SCHEMBL3290730 | 0.73 | HRH1 (0.68) | HRH1HTR2ATAAR1MTNR1AMTNR1B | |
| SCHEMBL4989295 | 0.73 | GRIK1 (0.47) | CYP1A2 | |
| SCHEMBL6452470 | 0.73 | MTNR1A (0.49) | MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL4738634 | 0.72 | CYP1A2 (0.76) | CYP1A2SLC1A2SLC1A1FOLH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7501429-B2 | Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2009-03-10 | — | — | US | disclosed |
| US-7501429-B2 | Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2009-03-10 | — | — | US | disclosed |
| EP-1230260-A1 | HCV NS3 PROTEASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001032691-A1 | HCV NS3 PROTEASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2001-05-10 | — | — | WO | disclosed |