Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL16248159 | 0.80 | KDM4E (0.37) | CYP1A2POLB | |
| SCHEMBL830187 | 0.77 | CYP1A2 (0.37) | CYP1A2POLB | |
| Ammonia Solution, Strong SCHEMBL28652832 | 0.75 | CYP1A2 (0.36) | CYP1A2POLB | |
| Ammonia Solution, Strong SCHEMBL11451734 | 0.74 | CYP1A2 (0.35) | CYP1A2POLB | |
| SCHEMBL28806573 | 0.72 | MAP4K4 (0.35) | CYP1A2POLB | |
| SCHEMBL28160853 | 0.72 | CYP1A2 (0.38) | CYP1A2POLB | |
| SCHEMBL25987002 | 0.72 | SORD (0.47) | CYP1A2POLB | |
| Formamide SCHEMBL29265659 | 0.71 | CYP1A2 (0.35) | CYP1A2POLB | |
| SCHEMBL12313633 | 0.71 | NOS3 (0.30) | — | |
| SCHEMBL16015473 | 0.71 | HRH3 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |