Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721590 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8333000 | 0.83 | CA12 (0.39) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8208812 | 0.81 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL180252 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10548644 | 0.76 | SLC2A1 (0.39) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL17529880 | 0.76 | CA1 (0.46) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL25053617 | 0.75 | CA12 (0.52) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL31325535 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| Bromide SCHEMBL20424457 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| Propylamine SCHEMBL12465622 | 0.74 | CYP1A2 (0.47) | ALDH1A1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-5688909-A | Catalyst composition and process for the preparation of copolymers of carbon monoxide and an olefinically unsaturated compound | SHELL OIL COMPANY (US) | 1997-11-18 | — | — | US | disclosed |