Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL30211662 | 0.91 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL24355064 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL9831746 | 0.87 | KDM4E (0.48) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL30211665 | 0.80 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL9830344 | 0.76 | S1PR1 (0.46) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL9830753 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL30493801 | 0.75 | SIGMAR1 (0.53) | KDM4EMEN1KMT2ACOMTHRH3 | |
| SCHEMBL9831768 | 0.74 | KDM4E (0.64) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL184071 | 0.74 | MEN1 (0.56) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL183706 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4EMEN1KMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4153549-A2 | RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS | Certego Therapeutics Inc. (US) | 2023-03-29 | — | — | EP | disclosed |