Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.54 |
| ▸ | BCL9 | O00512 | 1/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16086651 | 0.75 | MGLL (0.52) | MGLLBCL9CTNNB1GAAKMT2A | |
| SCHEMBL14617269 | 0.72 | MGLL (0.84) | MGLLBCL9CTNNB1GAAKMT2A | |
| SCHEMBL21057806 | 0.72 | BCL9 (0.51) | MGLLBCL9CTNNB1THRBGAA | |
| SCHEMBL4433141 | 0.72 | MGLL (0.52) | MGLLBCL9CTNNB1THRBGAA | |
| 4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 | 0.72 | MGLL (0.74) | MGLLBCL9CTNNB1GAAKMT2A | |
| SCHEMBL9397333 | 0.72 | HTR2A (0.43) | BCL9CTNNB1THRBSMN1; SMN2NPC1 | |
| SCHEMBL21097090 | 0.72 | BCL9 (0.53) | MGLLBCL9CTNNB1GAAKMT2A | |
| SCHEMBL7496074 | 0.71 | GAA (0.51) | MGLLBCL9CTNNB1THRBGAA | |
| SCHEMBL26608037 | 0.71 | EPHX2 (0.57) | MGLLBCL9CTNNB1GAAKMT2A | |
| SCHEMBL3335231 | 0.71 | MGLL (0.50) | MGLLBCL9CTNNB1THRBGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101072561-A | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2007-11-14 | — | — | CN | disclosed |