Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL5312463 | 1.00 | EPHX1 (0.39) | EPHX1ALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL5791276 | 0.98 | TSHR (0.40) | EPHX1ALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL29029803 | 0.84 | AKR1B1 (0.39) | ALDH1A1TSHRALOX15 | |
| SCHEMBL6917920 | 0.82 | ALDH1A1 (0.42) | EPHX1ALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL10830752 | 0.82 | CA12 (0.40) | ALDH1A1TSHRALOX15 | |
| SCHEMBL21997016 | 0.81 | KDM4A (0.44) | EPHX1ALDH1A1KDM4E | |
| SCHEMBL18838783 | 0.81 | SAT1 (0.37) | PAOXKDM4E | |
| SCHEMBL27151168 | 0.80 | DNM1 (0.57) | KDM4EEPHX2 | |
| SCHEMBL22771007 | 0.79 | PAOX (0.37) | PAOX | |
| SCHEMBL18992802 | 0.79 | KDM4A (0.41) | EPHX1ALDH1A1KDM4E |
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-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |