Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | MGAM | O43451 | 1/20 | 0.56 |
| ▸ | SI | P14410 | 1/20 | 0.56 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3976804 | 0.85 | MGAM (0.38) | GAAMGAMSIMGAM2POLB | |
| SCHEMBL5862458 | 0.79 | GAA (0.58) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL10525765 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNA | |
| SCHEMBL15635297 | 0.76 | GAA (0.41) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL7097454 | 0.76 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL456196 | 0.75 | GAA (0.88) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1933764 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TRPA1L3MBTL1FAAHMAPT | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.74 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.74 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.74 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2057125-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008019968-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-02-21 | — | — | WO | disclosed |
| EP-0527889-A4 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LAB (US) | 1994-08-10 | — | — | EP | disclosed |
| EP-0527889-A1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LABORATORIES (US) | 1993-02-24 | — | — | EP | disclosed |
| WO-1991016894-A1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LABORATORIES (US) | 1991-11-14 | — | — | WO | disclosed |