Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | GPR39 | O43194 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL4272018 | 0.73 | HAO1 (0.44) | ALDH1A1HTTLTA4HMAPK1TDP1 | |
| SCHEMBL147539 | 0.68 | LOXL2 (0.52) | ALDH1A1HTTLTA4HBLMHAO1 | |
| SCHEMBL29610302 | 0.68 | LOXL2 (0.52) | ALDH1A1HTTLTA4HBLMHAO1 | |
| SCHEMBL5119716 | 0.67 | MAPK1 (0.59) | ALDH1A1HTTLTA4HBLMMAPK1 | |
| SCHEMBL28554717 | 0.67 | BLM (0.59) | ALDH1A1BLMMAPK1TDP1GPR39 | |
| SCHEMBL5443693 | 0.66 | LTA4H (0.50) | ALDH1A1HTTLTA4HBLMHAO1 | |
| SCHEMBL8510667 | 0.66 | LTA4H (0.50) | ALDH1A1HTTLTA4HBLMHAO1 | |
| SCHEMBL29908717 | 0.65 | ALDH1A1 (0.30) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7014701 | 0.65 | CLK4 (0.61) | ALDH1A1LTA4HRIPK1NPC1RAB9A | |
| Methyl Alcohol SCHEMBL11157137 | 0.65 | GPR39 (0.51) | ALDH1A1HTTLTA4HBLMTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104834831-B | A kind of consistency model construction method based on three-dimensional quantitative structure-activity relationship model | 北京工业大学 | 2017-06-16 | — | — | CN | disclosed |
| CN-104834831-A | Consistency model building method based on 3-dimensional quantitative structure-activity relationship model | UNIV BEIJING TECHNOLOGY | 2015-08-12 | — | — | CN | disclosed |