Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 9/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.72 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.72 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.72 |
| ▸ | DRD2 | P14416 | 9/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.67 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 4/20 | 0.64 |
| ▸ | HTR2A | P28223 | 4/20 | 0.64 |
| ▸ | DRD3 | P35462 | 4/20 | 0.64 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.63 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL6404859 | 0.91 | CHRM1 (0.88) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL5984495 | 0.90 | CYP2D6 (0.85) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL6404540 | 0.87 | PLD1 (0.81) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL6406273 | 0.87 | CHRM1 (0.77) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL5728747 | 0.87 | CHRM1 (0.77) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL5984986 | 0.86 | CHRM1 (0.79) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL7964885 | 0.86 | CHRM1 (1.00) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL7961140 | 0.86 | CHRM1 (1.00) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL5772590 | 0.85 | CYP2D6 (1.00) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D | |
| SCHEMBL24708725 | 0.85 | CHRM1 (0.73) | CHRM1CYP2D6CYP2C9ADRA1AADRA1D |
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-A2 | NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | Klinge Pharma GmbH (DE) | 2000-10-18 | — | — | EP | disclosed |
| WO-1999031060-A2 | PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS | KLINGE PHARMA GMBH (DE) | 1999-06-24 | — | — | WO | disclosed |