Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL30334818 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TDP1 | |
| P-Xylene SCHEMBL2137209 | 0.74 | — | — | |
| SCHEMBL375259 | 0.73 | ALDH1A1 (0.40) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL14026730 | 0.72 | ALDH1A1 (0.32) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL8641991 | 0.70 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL6365213 | 0.68 | ALDH1A1 (0.36) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL587103 | 0.65 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL11880240 | 0.65 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL2055457 | 0.62 | ALDH1A1 (0.34) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL13643312 | 0.62 | — | — |
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-5786218-A | INFRARED ANALYSIS BY REACTING WITH A DEUTERIUM CONTAINING REAGENT | ZENECA LIMITED (GB) | 1998-07-28 | — | — | US | disclosed |