Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.56 |
| ▸ | CNR1 | P21554 | 6/20 | 0.54 |
| ▸ | CNR2 | P34972 | 5/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | CASR | P41180 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL329180 | 0.87 | MTNR1A (0.58) | KCNH2MTNR1AMTNR1BCNR1CNR2 | |
| SCHEMBL7390885 | 0.84 | KCNH2 (0.53) | KCNH2MTNR1AMTNR1BCNR1CNR2 | |
| SCHEMBL11796932 | 0.84 | KCNH2 (0.76) | KCNH2MTNR1AMTNR1BCNR1CNR2 | |
| SCHEMBL13917984 | 0.83 | GRIN1 (0.58) | MTNR1AMTNR1BCNR1CNR2EPHX2 | |
| SCHEMBL27322889 | 0.82 | CASR (0.62) | MTNR1AMTNR1BCNR1CNR2EPHX2 | |
| Hydrochloric Acid SCHEMBL11794831 | 0.82 | KCNH2 (0.73) | KCNH2MTNR1AMTNR1BCNR1CNR2 | |
| Glycine SCHEMBL27555842 | 0.81 | MTNR1A (0.51) | KCNH2MTNR1AMTNR1BCNR1CNR2 | |
| SCHEMBL3172518 | 0.80 | MTNR1A (0.59) | KCNH2MTNR1AMTNR1BCNR1CNR2 | |
| SCHEMBL3674189 | 0.80 | CYP2D6 (0.54) | MTNR1AMTNR1BCNR1CNR2EPHX2 | |
| SCHEMBL12329367 | 0.79 | CNR1 (0.57) | KCNH2MTNR1AMTNR1BCNR1HDAC3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2366698-A1 | Derivatives of urea and related diamines, methods for their manufacture, and uses therefor | Galapagos SAS (FR) | 2011-09-21 | — | — | EP | 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 |
| 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-6995177-B1 | HCV NS3 protease inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2006-02-07 | — | — | US | disclosed |
| EP-1230260-B1 | HCV NS3 PROTEASE INHIBITORS | ANGELETTI P IST RICHERCHE BIO (IT) | 2003-09-17 | — | — | EP | 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 |