Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9574797 | 0.80 | SIGMAR1 (0.59) | SIGMAR1CHRM2HTR2AHRH1SLC6A2 | |
| SCHEMBL2938035 | 0.79 | GRIN1 (0.71) | GRIN1GRIN2ASIGMAR1HTR2AHRH1 | |
| SCHEMBL9768636 | 0.79 | GRIN1 (0.70) | GRIN1GRIN2ASIGMAR1HTR2AHRH1 | |
| SCHEMBL10936146 | 0.77 | GRIN1 (0.41) | GRIN1GRIN2ASIGMAR1HTR2AHRH1 | |
| SCHEMBL5100125 | 0.77 | MAOB (0.58) | — | |
| SCHEMBL9574675 | 0.75 | SLC6A2 (0.68) | GRIN1GRIN2ASIGMAR1CHRM2HTR2A | |
| SCHEMBL5099632 | 0.74 | CHRM2 (0.47) | SIGMAR1CHRM2HTR2AHRH1SLC6A2 | |
| SCHEMBL9574655 | 0.70 | CHRM2 (0.66) | SIGMAR1CHRM2HTR2AHRH1SLC6A2 | |
| SCHEMBL9155641 | 0.69 | SIGMAR1 (0.73) | SIGMAR1CHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9574739 | 0.69 | CHRM2 (0.64) | SIGMAR1CHRM2HTR2AHRH1SLC6A2 |
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-7320993-B1 | Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents | ASTELLAS DEUTSCHLAND GMBH (DE) | 2008-01-22 | — | — | US | disclosed |
| EP-1042291-B1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE CO CHEM PHARM FAB (DE) | 2005-07-13 | — | — | EP | disclosed |
| EP-1042291-A1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | Klinge Pharma GmbH (DE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031064-A1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE PHARMA GMBH (DE) | 1999-06-24 | — | — | WO | disclosed |