Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31561797 | 1.00 | ALDH1A1 (0.71) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL28962150 | 0.98 | ALDH1A1 (0.74) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL8971703 | 0.90 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL8971261 | 0.90 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL2537399 | 0.90 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL8971186 | 0.90 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL8971393 | 0.90 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL5463183 | 0.90 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL8971430 | 0.90 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 | |
| SCHEMBL4001371 | 0.90 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012079583-A1 | SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS | AARHUS UNIVERSITET (DK) | 2012-06-21 | — | — | WO | disclosed |
| WO-2011012723-A1 | INJECTABLE SUSTAINED RELEASE COMPOSITIONS COMPRISING A PRAMIPEXOLE PRODRUG | ASCENDIS PHARMA AS (DK) | 2011-02-03 | — | — | WO | disclosed |