Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 13/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3966588 | 0.74 | MAPKAPK2 (0.39) | — | |
| SCHEMBL3970210 | 0.74 | NPC1 (0.41) | NFKB1LMNAPDK1ESR1ESR2 | |
| SCHEMBL3962466 | 0.73 | HDAC1 (0.48) | LMNAMAPK1HSP90AA1 | |
| SCHEMBL28772826 | 0.73 | IKBKB (0.38) | — | |
| SCHEMBL3963142 | 0.71 | HDAC6 (0.38) | PDK1MAPK1PDK2PDK4HSP90AA1 | |
| SCHEMBL3968816 | 0.71 | HDAC6 (0.43) | — | |
| SCHEMBL3969215 | 0.71 | ESR1 (0.38) | ESR1ESR2 | |
| SCHEMBL27578810 | 0.69 | ALDH1A1 (0.57) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL3963838 | 0.69 | PIK3CD (0.41) | JAK2JAK3 | |
| SCHEMBL3970954 | 0.68 | CYP2A6 (0.39) | LMNAPDK1PDK2PDK4HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101309918-B | [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases | LILLY CO ELI | 2010-12-29 | — | — | CN | disclosed |
| CN-101309918-A | [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases | LILLY CO ELI (US) | 2008-11-19 | — | — | CN | disclosed |