Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.30 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28791736 | 0.80 | — | — | |
| SCHEMBL27672014 | 0.78 | MTNR1A (0.40) | CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27671840 | 0.78 | MTNR1A (0.40) | CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27651618 | 0.78 | MTNR1A (0.40) | CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27613850 | 0.78 | CYP2D6 (0.37) | CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL27647576 | 0.77 | CYP2C19 (0.50) | CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL1144350 | 0.75 | — | — | |
| SCHEMBL4375053 | 0.75 | — | — | |
| SCHEMBL7645359 | 0.75 | — | — | |
| SCHEMBL9447277 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101426774-B | Azolecarboxamide derivative | ASTELLAS PHARMA INC | 2012-04-25 | — | — | CN | disclosed |
| CN-101426774-A | Azolecarboxamide derivative | ASTELLAS PHARMA INC (JP) | 2009-05-06 | — | — | CN | disclosed |