Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7366546 | 0.78 | SIGMAR1 (0.62) | SIGMAR1HTR1AABCB1 | |
| SCHEMBL7365852 | 0.75 | ACHE (0.52) | — | |
| SCHEMBL7365657 | 0.72 | ACHE (0.36) | — | |
| SCHEMBL7367469 | 0.71 | GBA1 (0.41) | — | |
| SCHEMBL15818378 | 0.70 | SIGMAR1 (0.54) | SIGMAR1HTR1AABCB1 | |
| SCHEMBL3613001 | 0.66 | ABCB1 (0.64) | SIGMAR1HTR1AABCB1 | |
| SCHEMBL3400551 | 0.66 | ABCB1 (0.73) | SIGMAR1HTR1AABCB1 | |
| SCHEMBL3397762 | 0.65 | ABCB1 (0.61) | SIGMAR1HTR1AABCB1 | |
| SCHEMBL11385907 | 0.64 | SIGMAR1 (0.56) | SIGMAR1HTR1AABCB1 | |
| SCHEMBL30124157 | 0.63 | ADRA2A (0.51) | SIGMAR1HTR1AABCB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997028157-A1 | NOVEL PIPERIDINE DERIVATIVES 4-SUBSTITUTED BY AN IMIDAZOLIDIN-2-ON-1-YL-ETHYL, TETRAHYDROPYRIMIDIN-2-ON-1-YL-ETHYL AND 1,3-DIAZEPIN-2-ON-1-YL-ETHYL GROUP, AND USE THEREOF AS α2-ADRENERGIC RECEPTOR ANTAGONISTS | PIERRE FABRE MEDICAMENT (FR) | 1997-08-07 | — | — | WO | disclosed |