Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 3/20 | 0.35 |
| ▸ | ADH1C | P00326 | 3/20 | 0.35 |
| ▸ | ADH1A | P07327 | 3/20 | 0.35 |
| ▸ | ADH7 | P40394 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL999821 | 0.95 | ALDH1A1 (0.53) | ALDH1A1HSD17B10EPHX1MAPK1POLB | |
| SCHEMBL1002568 | 0.95 | ALDH1A1 (0.61) | ALDH1A1HSD17B10EPHX1MAPK1POLB | |
| SCHEMBL1000295 | 0.95 | ALDH1A1 (0.61) | ALDH1A1HSD17B10EPHX1MAPK1POLB | |
| SCHEMBL19301714 | 0.95 | ALDH1A1 (0.61) | ALDH1A1HSD17B10EPHX1POLBADH1B | |
| SCHEMBL19301422 | 0.95 | ALDH1A1 (0.61) | ALDH1A1HSD17B10EPHX1POLBADH1B | |
| SCHEMBL999820 | 0.95 | ALDH1A1 (0.53) | ALDH1A1HSD17B10EPHX1MAPK1POLB | |
| SCHEMBL998765 | 0.92 | ALDH1A1 (0.67) | ALDH1A1HSD17B10EPHX1MAPK1POLB | |
| SCHEMBL998767 | 0.92 | ALDH1A1 (0.67) | ALDH1A1HSD17B10EPHX1MAPK1POLB | |
| SCHEMBL22856385 | 0.92 | ALDH1A1 (0.67) | ALDH1A1HSD17B10EPHX1POLBADH1B | |
| SCHEMBL998954 | 0.92 | ALDH1A1 (0.67) | ALDH1A1HSD17B10EPHX1MAPK1POLB |
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-9574189-B2 | Enzymatic encoding methods for efficient synthesis of large libraries | NUEVOLUTION A/S (DK) | 2017-02-21 | — | — | US | disclosed |