Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 2/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8441398 | 0.81 | ALDH1A1 (0.43) | GABRA1GABRB2ALDH1A1TDP1PDE1A | |
| SCHEMBL1083014 | 0.79 | CA12 (0.39) | ALDH1A1TDP1PDE1APDE1BPDE1C | |
| SCHEMBL15988340 | 0.72 | GABRA1 (0.48) | GABRA1GABRB2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL15988339 | 0.67 | ALDH1A1 (0.46) | GABRA1GABRB2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL28187985 | 0.63 | ALDH1A1 (0.48) | GABRA1GABRB2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL1083036 | 0.62 | GABRA1 (0.55) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL28191486 | 0.62 | ALDH1A1 (0.46) | GABRA1GABRB2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL19697671 | 0.61 | ALDH1A1 (0.42) | ALDH1A1TDP1GAA | |
| SCHEMBL23023623 | 0.60 | ALDH1A1 (0.51) | ALDH1A1TDP1GAA | |
| SCHEMBL7822281 | 0.60 | CYP2C19 (0.46) | GABRA1GABRB2LMNACYP2C19GAA |
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-2011005969-A2 | ETOMIDATE ANALOGUES THAT DO NOT INHIBIT ADRENOCORTICAL STEROID SYNTHESIS | THE GENERAL HOSPITAL CORPORATION (US) | 2011-01-13 | — | — | WO | disclosed |