Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.35 |
| ▸ | TYMS | P04818 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30211961 | 0.87 | TYMS (0.51) | ALDH1A1MAPTPABPC1KDM4ESMN1; SMN2 | |
| SCHEMBL14323672 | 0.85 | MEN1 (0.53) | ALDH1A1MAPTKDM4ECYP3A4CASP1 | |
| SCHEMBL14329987 | 0.83 | KMT2A (0.55) | ALDH1A1MAPTPABPC1KDM4ESMN1; SMN2 | |
| SCHEMBL21670093 | 0.82 | KMT2A (0.37) | ALDH1A1MAPTPABPC1KDM4ESMN1; SMN2 | |
| SCHEMBL19465787 | 0.81 | KMT2A (0.39) | ALDH1A1MAPTPABPC1KDM4ECASP1 | |
| SCHEMBL15886144 | 0.79 | CYP1B1 (0.58) | ALDH1A1MAPTKDM4ESMN1; SMN2CASP1 | |
| SCHEMBL30003710 | 0.79 | CYP1B1 (0.58) | ALDH1A1MAPTKDM4ESMN1; SMN2CASP1 | |
| SCHEMBL28566950 | 0.77 | HEXA (0.57) | ALDH1A1MAPTPABPC1KDM4EMEN1 | |
| SCHEMBL16085321 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL15383768 | 0.75 | MEN1 (0.57) | ALDH1A1MAPTPABPC1KDM4ESMN1; SMN2 |
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-101990540-A | Lyotropic liquid crystal systems based on bisacenaphthopyrazinoquinoxaline derivatives and methods of making | NITTO DENKO CORP | 2011-03-23 | — | — | CN | disclosed |