Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.36 |
| ▸ | ADH1A | P07327 | 1/20 | 0.36 |
| ▸ | ADH7 | P40394 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.30 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 2/20 | 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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL162912 | 0.85 | TDP1 (0.56) | PAOXTSHRALDH1A1LMNAANPEP | |
| SCHEMBL1231151 | 0.83 | — | — | |
| SCHEMBL11701066 | 0.83 | ANPEP (0.39) | PAOXTSHRALDH1A1LMNAANPEP | |
| Hydrogen Peroxide SCHEMBL136356 | 0.82 | PAOX (0.48) | PAOXTSHRALDH1A1ANPEPADH1B | |
| Hydrogen Peroxide SCHEMBL136358 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL11581901 | 0.82 | PAOX (0.48) | PAOXTSHRALDH1A1ANPEPADH1B | |
| SCHEMBL15445 | 0.82 | — | — | |
| SCHEMBL17626634 | 0.82 | TSHR (0.53) | PAOXTSHRALDH1A1ANPEPADH1B | |
| Isopropyl Alcohol SCHEMBL29165543 | 0.81 | TSHR (0.58) | PAOXTSHRALDH1A1ANPEPADH1B | |
| SCHEMBL23733297 | 0.81 | ANPEP (0.42) | PAOXTSHRALDH1A1LMNAANPEP |
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-2008075169-A2 | A PROCESS FOR THE PURIFICATION OF ROPINIROLE HYDROCHLORIDE | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2008-06-26 | — | — | WO | disclosed |