Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | C3AR1 | Q16581 | 4/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL8776121 | 0.96 | ALDH1A1 (0.51) | TBXAS1ALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL8775877 | 0.86 | CYP3A4 (0.52) | TBXAS1ALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL8775935 | 0.86 | CYP3A4 (0.52) | TBXAS1ALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL8776050 | 0.83 | ALDH1A1 (0.46) | TBXAS1ALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL8776092 | 0.81 | TBXAS1 (0.58) | TBXAS1ALDH1A1CYP2C9CYP2C19EPHX2 | |
| SCHEMBL8776013 | 0.80 | TBXAS1 (0.56) | TBXAS1ALDH1A1CYP2C9CYP2C19EPHX2 | |
| SCHEMBL8776110 | 0.79 | TBXAS1 (0.56) | TBXAS1CYP2C9CYP2C19EPHX2 | |
| SCHEMBL8775780 | 0.79 | TBXAS1 (0.64) | TBXAS1CYP2C9CYP2C19EPHX2 | |
| SCHEMBL8775884 | 0.79 | TBXAS1 (0.64) | TBXAS1CYP2C9CYP2C19EPHX2 | |
| SCHEMBL8776095 | 0.79 | TBXAS1 (0.64) | TBXAS1CYP2C9CYP2C19EPHX2 |
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-0807626-A1 | N-HYDROXYUREA DERIVATIVES | Nikken Chemicals Company, Limited (JP) | 1997-11-19 | — | — | EP | disclosed |