Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6889409 | 0.84 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL6963655 | 0.84 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL24938392 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1TDP1CYP3A4 | |
| SCHEMBL26197075 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1TDP1CYP3A4 | |
| SCHEMBL18669055 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1TDP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL30878143 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| Hydrochloric Acid SCHEMBL6889405 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL19813646 | 0.82 | SYK (0.49) | MAPK1L3MBTL1TDP1ATMPOLB | |
| SCHEMBL19813647 | 0.82 | SYK (0.49) | MAPK1L3MBTL1TDP1ATMPOLB | |
| SCHEMBL26750249 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017050259-A1 | PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF | XW LABORATORIES INC. (KY) | 2017-03-30 | — | — | WO | disclosed |