Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.73 |
| ▸ | EGLN1 | Q9GZT9 | 17/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | CCR1 | P32246 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27872555 | 0.86 | ALDH1A1 (0.77) | ALDH1A1EGLN1KDM4EGMNNLMNA | |
| SCHEMBL1759043 | 0.84 | ALDH1A1 (1.00) | ALDH1A1EGLN1KDM4ELMNATP53 | |
| SCHEMBL253460 | 0.83 | ALDH1A1 (0.73) | ALDH1A1EGLN1 | |
| SCHEMBL9139640 | 0.83 | ALDH1A1 (0.97) | ALDH1A1EGLN1KDM4ELMNATP53 | |
| SCHEMBL2143864 | 0.83 | ALDH1A1 (0.73) | ALDH1A1EGLN1KDM4EGMNNLMNA | |
| SCHEMBL2143721 | 0.83 | ALDH1A1 (0.73) | ALDH1A1EGLN1KDM4EGMNNLMNA | |
| SCHEMBL15445450 | 0.80 | ALDH1A1 (0.69) | ALDH1A1EGLN1 | |
| SCHEMBL12647755 | 0.79 | ALDH1A1 (0.67) | ALDH1A1EGLN1KDM4EHSP90AA1 | |
| SCHEMBL6487277 | 0.79 | ALDH1A1 (0.71) | ALDH1A1EGLN1LMNA | |
| SCHEMBL31023212 | 0.79 | ALDH1A1 (0.71) | ALDH1A1EGLN1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5681832-A | FOR TREATMENT OF VIRAL DISEASES BY SUPPRESSING REPLICATION OF RETROVIRUSES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-10-28 | — | — | US | disclosed |
| WO-1996025399-A1 | NOVEL AROYLANILINE DERIVATIVES, COMPOSITIONS AND USES THEREOF IN THE TREATMENT OF VIRAL INFECTIONS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-08-22 | — | — | WO | disclosed |