Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 7/20 | 0.46 |
| ▸ | GSK3A | P49840 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14276138 | 0.88 | GSK3A (0.44) | NR1I2GSK3AMAPTKDM4EALDH1A1 | |
| SCHEMBL14276144 | 0.87 | MAPK14 (0.51) | GSK3AMAPK14SRCSYKCYP3A4 | |
| SCHEMBL14276136 | 0.84 | GSK3A (0.47) | NR1I2GSK3AMAPTKDM4EALDH1A1 | |
| SCHEMBL5685202 | 0.81 | BRAF (0.47) | NR1I2GSK3AMAPTKDM4EALDH1A1 | |
| SCHEMBL5110670 | 0.80 | ALDH1A1 (0.38) | GSK3AKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL6298546 | 0.79 | GSK3A (0.60) | GSK3AMAPK14SRCSYK | |
| SCHEMBL14276147 | 0.79 | MAPK14 (0.46) | GSK3AMAPK14SRCSYKBRAF | |
| SCHEMBL14276173 | 0.78 | MAPK14 (0.49) | GSK3AMAPK14SRCSYKBRAF | |
| SCHEMBL14276230 | 0.78 | GSK3A (0.45) | GSK3AMAPK14SRCSYK | |
| SCHEMBL14276160 | 0.77 | GSK3A (0.44) | GSK3AMAPK14SRCSYK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7335657-B2 | Cytokine inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2008-02-26 | — | — | US | disclosed |
| US-7335657-B2 | Cytokine inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2008-02-26 | — | — | US | disclosed |