Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 1.00 |
| ▸ | ADRA1D | P25100 | 2/20 | 1.00 |
| ▸ | ADRA1B | P35368 | 1/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 11/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | DRD2 | P14416 | 11/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.62 |
| ▸ | HTR7 | P34969 | 1/20 | 0.62 |
| ▸ | HTR1A | P08908 | 4/20 | 0.61 |
| ▸ | HTR2A | P28223 | 4/20 | 0.61 |
| ▸ | DRD3 | P35462 | 4/20 | 0.61 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL11878362 | 0.92 | ADRA1A (0.84) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL6404859 | 0.89 | CHRM1 (0.88) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL5984495 | 0.88 | CYP2D6 (0.85) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL6404540 | 0.85 | PLD1 (0.81) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL11877117 | 0.85 | ADRA1D (0.74) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL6406273 | 0.85 | CHRM1 (0.77) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL5728747 | 0.85 | CHRM1 (0.77) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL8117809 | 0.84 | CHRM1 (0.75) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL5984986 | 0.84 | CHRM1 (0.79) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 | |
| SCHEMBL7964885 | 0.84 | CHRM1 (1.00) | ADRA1AADRA1DADRA1BCHRM1CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1044197-B1 | PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS | ASTELLAS PHARMA GMBH (DE) | 2006-04-19 | — | — | EP | disclosed |
| US-6593344-B1 | These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases | KLINGE PHARMA GMBH (DE) | 2003-07-15 | — | — | US | disclosed |