Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16510450 | 0.95 | CYP1A2 (0.47) | ALDH1A1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29341178 | 0.83 | CYP3A4 (0.53) | ALDH1A1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22539312 | 0.80 | CYP1A2 (0.64) | ALDH1A1OPRK1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL404848 | 0.80 | ALPI (0.50) | OPRK1ALPIPKMPTGS1XIAP | |
| SCHEMBL5020123 | 0.79 | PPID (0.58) | ALDH1A1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29341179 | 0.79 | CYP3A4 (0.46) | ALDH1A1OPRK1CYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL10788649 | 0.78 | PPID (0.57) | ALDH1A1OPRK1CYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL11019745 | 0.78 | PPID (0.57) | ALDH1A1OPRK1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10344243 | 0.78 | PPID (0.57) | ALDH1A1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7635307 | 0.77 | SLC7A5 (0.53) | OPRK1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-2011150500-A1 | CYCLIC AMINO ACID MOLECULES CONTAINING AZIRIDINE AMINO ACIDS AND METHODS OF PREPARING SAME | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2011-12-08 | — | — | WO | disclosed |