Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 9/20 | 0.66 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 2/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL933853 | 0.84 | TBXAS1 (0.68) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| SCHEMBL7165228 | 0.84 | TBXAS1 (0.68) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| SCHEMBL1583762 | 0.84 | TBXAS1 (0.90) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| SCHEMBL30612524 | 0.84 | TBXAS1 (0.90) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| SCHEMBL5724822 | 0.83 | TBXAS1 (0.66) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| Bicarbonate SCHEMBL9522433 | 0.80 | TBXAS1 (0.81) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| SCHEMBL9520246 | 0.80 | TBXAS1 (0.62) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| SCHEMBL294519 | 0.80 | CYP2A6 (0.66) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| SCHEMBL4304368 | 0.79 | TBXAS1 (0.76) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 | |
| SCHEMBL744045 | 0.79 | TBXAS1 (1.00) | TBXAS1CYP2A6TDP1L3MBTL1HRH1 |
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-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |