Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5809103 | 0.83 | REN (0.38) | ALDH1A1ALDH2RENLMNACA12 | |
| SCHEMBL23876518 | 0.83 | ALDH1A1 (0.43) | ALDH1A1ALDH2RENLMNACA12 | |
| SCHEMBL12444629 | 0.83 | LMNA (0.38) | ALDH1A1ALDH2RENLMNACYP2C19 | |
| SCHEMBL1834147 | 0.83 | PAOX (0.34) | ALDH1A1ALDH2LMNACYP2C19MEN1 | |
| SCHEMBL28273511 | 0.82 | REN (0.37) | ALDH1A1ALDH2RENLMNAPAOX | |
| SCHEMBL16722614 | 0.82 | REN (0.33) | RENCYP2C19MEN1GLAKMT2A | |
| Diethylamine SCHEMBL10651999 | 0.81 | TP53 (0.42) | ALDH1A1ALDH2LMNAMEN1KMT2A | |
| SCHEMBL15798319 | 0.80 | OPRM1 (0.41) | ALDH1A1ALDH2RENLMNASLC6A2 | |
| Diethylamine SCHEMBL2329617 | 0.79 | TP53 (0.40) | ALDH1A1ALDH2LMNAMEN1KMT2A | |
| SCHEMBL135270 | 0.78 | GAA (0.33) | ALDH1A1ALDH2LMNACYP2C19MEN1 |
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-0634996-A1 | 1,4 NAPHTHOQUINONE DERIVTIVES WITH ANTI-PROTOZOAL AND ANTI-PARASITIC ACTIVITY | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-01-25 | — | — | EP | disclosed |