Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 5/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2807342 | 0.95 | EPHX2 (0.69) | ALDH1A1GAAHPGDEPHX2KDM4E | |
| SCHEMBL2810873 | 0.90 | EPHX2 (0.55) | ALDH1A1GAAHPGDEPHX2KDM4E | |
| Hydrochloric Acid SCHEMBL5124029 | 0.88 | EPHX2 (0.54) | ALDH1A1GAAHPGDEPHX2KDM4E | |
| SCHEMBL10993215 | 0.86 | EGFR (0.60) | HPGDEPHX2KDM4EEGFRERBB2 | |
| SCHEMBL9225785 | 0.84 | RAB9A (0.50) | ALDH1A1GAAHPGDEPHX2RAB9A | |
| SCHEMBL21082820 | 0.84 | ALDH1A1 (0.61) | ALDH1A1GAAHPGDEPHX2RAB9A | |
| SCHEMBL9883901 | 0.83 | EPHX2 (0.51) | ALDH1A1GAAHPGDEPHX2KDM4E | |
| SCHEMBL386093 | 0.82 | KDM4E (0.57) | KDM4EEGFRERBB2CA1CA2 | |
| Stearylsulfamide SCHEMBL5038494 | 0.82 | EPHX2 (0.59) | ALDH1A1GAAHPGDEPHX2RAB9A | |
| SCHEMBL26723622 | 0.82 | FBP1 (0.49) | ALDH1A1GAAHPGDEPHX2RAB9A |
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-1692157-B1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMA (US) | 2013-04-17 | — | — | EP | disclosed |