Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CKS1B | P61024 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7758292 | 0.88 | SLC6A2 (0.42) | ALDH1A1CYP3A4TP53CYP1A2CYP2C9 | |
| SCHEMBL15541962 | 0.88 | APP (0.37) | ALOX5EGFRLCK | |
| SCHEMBL15541469 | 0.87 | TRPV1 (0.34) | ALOX15ALOX5EGFRLCK | |
| SCHEMBL3772824 | 0.87 | ADRB2 (0.40) | ALDH1A1CYP3A4CA2ALOX15MTNR1A | |
| SCHEMBL15541451 | 0.85 | SLC15A1 (0.35) | CA2SLC7A5ALOX5EGFRLCK | |
| SCHEMBL7758297 | 0.85 | BACE1 (0.34) | CALM1ALOX15BACE1ALOX5ESR1 | |
| SCHEMBL722594 | 0.83 | IGF1R (0.36) | CALM1ALOX15BACE1ALOX5 | |
| SCHEMBL4190007 | 0.83 | BACE1 (0.40) | ALDH1A1CALM1ALOX15BACE1ALOX5 | |
| SCHEMBL7756328 | 0.83 | ALOX5 (0.35) | BACE1ALOX5 | |
| SCHEMBL7755087 | 0.82 | ADRB2 (0.35) | ALOX5ESR1CYP19A1ESR2 |
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-2012098560-A2 | PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST | MSN LABORATORIES LIMITED (IN) | 2012-07-26 | — | — | WO | disclosed |