Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | LSS | P48449 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6954941 | 1.00 | TSHR (0.41) | TSHRCYP3A4CYP2D6SOAT1CNR2 | |
| SCHEMBL5848362 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2D6SOAT1ATMALDH1A1 | |
| SCHEMBL9506242 | 0.86 | RARB (0.47) | TSHRCYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL6944036 | 0.85 | TSHR (0.39) | TSHRCYP3A4CYP2D6CNR2ATM | |
| SCHEMBL7501927 | 0.78 | NPC1 (0.44) | SOAT1LSSATMALDH1A1L3MBTL1 | |
| SCHEMBL9333741 | 0.77 | CYP2D6 (0.41) | CYP3A4CYP2D6ALDH1A1KDM4EHPGD | |
| SCHEMBL9544988 | 0.77 | MEN1 (0.42) | ALDH1A1L3MBTL1 | |
| SCHEMBL7882595 | 0.76 | CYP3A4 (0.47) | CYP3A4CYP2D6SOAT1ATMALDH1A1 | |
| SCHEMBL7506904 | 0.75 | NPC1 (0.44) | LSSATMALDH1A1L3MBTL1 | |
| SCHEMBL8970306 | 0.75 | CYP2D6 (0.56) | TSHRCYP3A4CYP2D6ALDH1A1KDM4E |
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-0639189-B1 | PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2003-02-19 | — | — | EP | disclosed |