Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 8/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13853529 | 0.82 | MTNR1A (0.56) | GRIN2BMTNR1AMTNR1BCA1CA2 | |
| SCHEMBL459537 | 0.76 | GRIN2B (0.65) | GRIN2BMTNR1AMTNR1BCA1CA2 | |
| SCHEMBL30612411 | 0.74 | MTNR1A (0.73) | GRIN2BMTNR1AMTNR1BCA1CA2 | |
| SCHEMBL9851515 | 0.74 | MTNR1A (0.73) | GRIN2BMTNR1AMTNR1BCA1CA2 | |
| SCHEMBL4043115 | 0.73 | GRIN2B (0.57) | GRIN2BMTNR1AMTNR1BCA1CA2 | |
| SCHEMBL28265320 | 0.72 | PDPK1 (0.56) | CA1CA2MAOAMAOB | |
| SCHEMBL7838746 | 0.72 | MTNR1A (0.61) | GRIN2BMTNR1AMTNR1BCA1CA2 | |
| SCHEMBL823057 | 0.72 | MTNR1A (0.61) | GRIN2BMTNR1AMTNR1BCA1CA2 | |
| SCHEMBL29599386 | 0.72 | MTNR1A (0.61) | GRIN2BMTNR1AMTNR1BCA1CA2 | |
| SCHEMBL4606877 | 0.72 | MTNR1A (0.61) | GRIN2BMTNR1AMTNR1BCA1CA2 |
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-5719280-A | REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID | SYNTEX (U.S.A.) INC. (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0757677-A1 | BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1997-02-12 | — | — | EP | disclosed |
| US-5538988-A | CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS | SYNTEX (U.S.A.) INC. | 1996-07-23 | — | — | US | disclosed |
| WO-1995029165-A2 | BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1995-11-02 | — | — | WO | disclosed |