Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18687105 | 0.86 | CYP1A2 (0.48) | MEN1KMT2AGAATDP1CA2 | |
| SCHEMBL22971405 | 0.86 | CYP1A2 (0.48) | MEN1KMT2AGAATDP1CA2 | |
| SCHEMBL13895419 | 0.83 | MEN1 (0.50) | MEN1KMT2AGAATDP1EPHX2 | |
| SCHEMBL18360389 | 0.83 | MEN1 (0.50) | MEN1KMT2AGAATDP1EPHX2 | |
| SCHEMBL18360392 | 0.83 | MEN1 (0.44) | MEN1KMT2AGAATDP1CA2 | |
| SCHEMBL28502291 | 0.81 | MEN1 (0.46) | MEN1KMT2AGAATDP1EPHX2 | |
| SCHEMBL18360387 | 0.81 | CTSK (0.45) | MEN1KMT2AGAATDP1CA2 | |
| SCHEMBL18668826 | 0.79 | MEN1 (0.40) | MEN1KMT2AGAATDP1EPHX2 | |
| SCHEMBL21168987 | 0.79 | CA2 (0.39) | MEN1KMT2AGAATDP1CA2 | |
| SCHEMBL21903181 | 0.78 | MEN1 (0.44) | MEN1KMT2AGAATDP1EPHX2 |
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 |