Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18636634 | 0.78 | ALDH1A1 (0.36) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16918290 | 0.75 | CA12 (0.38) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL31755 | 0.74 | MAPK1 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL18811947 | 0.71 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA2CA9 | |
| Tert-Butyl Hydroperoxide SCHEMBL27994145 | 0.71 | ALDH1A1 (0.56) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL17264065 | 0.70 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16363513 | 0.70 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16077737 | 0.70 | ALDH1A1 (0.37) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL1838062 | 0.70 | ALDH1A1 (0.35) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11716688 | 0.68 | TSHR (0.39) | ALDH1A1CA1CA2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4204075-A | PURIFICATION | PENNWALT CORPORATION (US) | 1980-05-20 | — | — | US | disclosed |
| US-4133835-A | REACTING AN OLEFIN, A HALIDE, AND A HYDROPEROXIDE | PENNWALT CORPORATION (US) | 1979-01-09 | — | — | US | disclosed |