Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2707534 | 0.86 | ALDH1A1 (0.48) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| SCHEMBL8439016 | 0.84 | ALDH1A1 (0.47) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| SCHEMBL5137574 | 0.84 | ALDH1A1 (0.50) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| SCHEMBL27519846 | 0.83 | ALDH1A1 (0.46) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| SCHEMBL9363696 | 0.82 | ALDH1A1 (0.48) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| SCHEMBL9356687 | 0.82 | ALDH1A1 (0.52) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| SCHEMBL7653262 | 0.80 | ALDH1A1 (0.66) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| SCHEMBL11332963 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL27718102 | 0.79 | ALDH1A1 (0.63) | ALDH1A1GLATSHRKMT2AL3MBTL1 | |
| SCHEMBL6001688 | 0.78 | NPC1 (0.55) | ALDH1A1GLATSHRKMT2AL3MBTL1 |
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-103570586-B | D-PG derivative and its production and use | SOUTHWEST UNIVERSITY (CN) | 2016-02-10 | — | — | CN | claimed |