Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6193007 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HTTPOLBHPGDHSD17B10 | |
| SCHEMBL83222 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HTTPOLBHPGDHSD17B10 | |
| SCHEMBL1001751 | 0.98 | POLB (0.50) | ALDH1A1HTTPOLBHPGDHSD17B10 | |
| SCHEMBL30595375 | 0.93 | POLB (0.50) | ALDH1A1HTTPOLBHPGDHSD17B10 | |
| SCHEMBL30022123 | 0.89 | POLB (0.54) | ALDH1A1POLBHPGDHSD17B10GAA | |
| SCHEMBL3425931 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HTTPOLBHPGDHSD17B10 | |
| SCHEMBL28302109 | 0.84 | ALDH1A1 (0.55) | ALDH1A1HPGDHSD17B10KMT2AMAPT | |
| SCHEMBL10100512 | 0.83 | TERT (0.46) | ALDH1A1HTTPOLBHPGDHSD17B10 | |
| SCHEMBL27698994 | 0.82 | POLB (0.44) | ALDH1A1HTTPOLBHSD17B10GAA | |
| SCHEMBL28420408 | 0.82 | ERCC1 (0.55) | ALDH1A1HPGDHSD17B10KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-107266449-B | Process for the preparation of chiral 8- (3-amino-piperidin-1-yl) -xanthines | 勃林格殷格翰国际有限公司 | 2022-06-07 | — | — | CN | claimed |