Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.31 |
| ▸ | BCR | P11274 | 2/20 | 0.31 |
| ▸ | MERTK | Q12866 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HAVCR2 | Q8TDQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL3961528 | 0.93 | BTK (0.41) | BTKABL1BCRMEN1KMT2A | |
| SCHEMBL3965319 | 0.83 | RAB9A (0.42) | BTKMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL3961637 | 0.82 | BTK (0.39) | BTKMEN1KMT2ARXFP1KDM4E | |
| SCHEMBL3965410 | 0.81 | BTK (0.41) | BTKMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL3965727 | 0.80 | KDM4E (0.34) | MEN1KMT2ARXFP1KDM4EALDH1A1 | |
| SCHEMBL3970415 | 0.80 | PDK1 (0.38) | MEN1KMT2ARXFP1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4075875 | 0.76 | MERTK (0.35) | MERTK | |
| SCHEMBL3969565 | 0.74 | BTK (0.38) | BTKCHEK1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4069329 | 0.74 | MERTK (0.36) | MERTK | |
| SCHEMBL3961444 | 0.71 | L3MBTL1 (0.48) | KMT2AKDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1989200-B1 | [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) | 2009-07-29 | — | — | EP | disclosed |