Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CLK3 | P49761 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL949484 | 0.88 | SMN1; SMN2 (0.42) | CYP2D6CYP2C19TSHRRAB9AL3MBTL1 | |
| SCHEMBL950001 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C19KMT2APOLB | |
| SCHEMBL13019006 | 0.75 | KMT2A (0.56) | CYP3A4KMT2APOLBTSHRRAB9A | |
| SCHEMBL24334074 | 0.75 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C19PARP1KMT2A | |
| SCHEMBL28460764 | 0.72 | MAPT (0.41) | CYP3A4KMT2APOLBALDH1A1KDM4E | |
| SCHEMBL15587825 | 0.70 | ALDH1A1 (0.51) | CYP3A4KMT2APOLBTSHRRAB9A | |
| SCHEMBL956335 | 0.69 | HPGD (0.60) | CYP3A4CYP2D6CYP2C19KMT2ATSHR | |
| SCHEMBL9702585 | 0.69 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C19PARP1KMT2A | |
| SCHEMBL949480 | 0.68 | CTSA (0.30) | — | |
| SCHEMBL953930 | 0.68 | APP (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |