Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.47 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680846 | 0.80 | L3MBTL1 (0.40) | SQORGHSRTSHRL3MBTL1PPARG | |
| SCHEMBL9449173 | 0.79 | ALDH1A1 (0.44) | MAOBGHSRTSHRL3MBTL1 | |
| SCHEMBL9681932 | 0.75 | HCAR2 (0.32) | CNR1TSHRPPARG | |
| SCHEMBL30656166 | 0.75 | CNR1 (0.54) | CNR1SQORMAOB | |
| SCHEMBL3226903 | 0.74 | KDM4E (0.54) | L3MBTL1 | |
| SCHEMBL3227733 | 0.74 | KDM4E (0.43) | CNR1XDHL3MBTL1 | |
| SCHEMBL15814214 | 0.71 | SQOR (0.55) | SQORMAOBTSHRL3MBTL1 | |
| SCHEMBL9585493 | 0.71 | HTT (0.65) | — | |
| SCHEMBL4286787 | 0.71 | HDAC1 (0.58) | CNR1SQORMAOBTSHRXDH | |
| SCHEMBL9846090 | 0.71 | KDM4E (0.69) | TSHRL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5202243-A | Biosynthetic hydroxylation yields polymerase inhibitors | MERCK & CO., INC. (US) | 1993-04-13 | — | — | US | disclosed |
| US-5185251-A | Treatment of HIV and AIDS | MERCK & CO., INC. (US) | 1993-02-09 | — | — | US | disclosed |
| EP-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |
| EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |