Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | RGS12 | O14924 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL907522 | 0.83 | LMNA (0.41) | AOC3SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL907525 | 0.83 | LMNA (0.41) | AOC3SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL27692795 | 0.74 | RIPK1 (0.50) | AOC3KDM4ELMNATSHR | |
| SCHEMBL2496078 | 0.74 | RIPK1 (0.50) | AOC3KDM4ELMNATSHR | |
| SCHEMBL16119950 | 0.72 | AOC3 (0.45) | AOC3SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL21163942 | 0.72 | AOC3 (0.45) | AOC3SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL18893313 | 0.72 | AOC3 (0.45) | AOC3SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL18887989 | 0.72 | AOC3 (0.49) | AOC3SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL30804695 | 0.71 | CYP1A2 (0.40) | AOC3SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL28900854 | 0.71 | CYP1A2 (0.40) | AOC3SLC6A2SLC6A4SLC6A3CYP2D6 |
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-2009124167-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |