Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL30764888 | 1.00 | KEAP1 (0.43) | KEAP1NFE2L2BACE1PARP14SMN1; SMN2 | |
| SCHEMBL1290883 | 0.85 | KMT2A (0.49) | KEAP1NFE2L2SMN1; SMN2NPC1LMNA | |
| SCHEMBL13303941 | 0.82 | PTGS1 (0.47) | KEAP1NFE2L2PARP14NPC1LMNA | |
| SCHEMBL13842603 | 0.80 | KMT2A (0.51) | KEAP1NFE2L2PARP14NPC1POLB | |
| SCHEMBL7806477 | 0.79 | BACE1 (0.42) | KEAP1NFE2L2BACE1PTGS1PTGS2 | |
| SCHEMBL12900927 | 0.77 | MEN1 (0.49) | KEAP1NFE2L2BACE1PARP14NPC1 | |
| SCHEMBL19420697 | 0.77 | TP53 (0.45) | KEAP1NFE2L2PARP14SMN1; SMN2NPC1 | |
| SCHEMBL14014069 | 0.77 | KDM1A (0.49) | KEAP1NFE2L2PARP14NPC1LMNA | |
| SCHEMBL13393229 | 0.77 | ADRA2A (0.57) | PARP14SMN1; SMN2CA1CA2CA9 | |
| SCHEMBL4792308 | 0.77 | MAPK1 (0.49) | SMN1; SMN2LMNANR3C1PTGS1PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111836801-B | Compounds for inhibiting TNIK and medical use thereof | 韩国化学硏究院 | 2024-02-02 | — | — | CN | disclosed |
| CN-111836801-A | Compound for inhibiting TNIK and medical application thereof | 韩国化学硏究院 | 2020-10-27 | — | — | CN | disclosed |
| WO-2012045194-A1 | BENZODIAZEPINONES AS FAK INHIBITORS FOR TREATMENT OF CANCER | ABBOTT LABORATORIES (US) | 2012-04-12 | — | — | WO | disclosed |