Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | FLT3 | P36888 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | ROS1 | P08922 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19353145 | 0.89 | CUL4A (0.33) | FLT3AURKBCDC7PLK4DYRK3 | |
| SCHEMBL19353265 | 0.85 | KMT2A (0.37) | KMT2AFLT3CYP1A2AURKBCDC7 | |
| SCHEMBL17625478 | 0.83 | AURKA (0.40) | MEN1KMT2AKDM4ECYP2C19AURKB | |
| SCHEMBL19353125 | 0.83 | CNR2 (0.41) | MEN1KMT2AKDM4EFLT3CYP1A2 | |
| SCHEMBL19329946 | 0.83 | KDM4E (0.41) | MEN1KMT2AKDM4EFLT3CYP1A2 | |
| SCHEMBL19329944 | 0.83 | NPSR1 (0.36) | MEN1KMT2AKDM4EALDH1A1MAPT | |
| SCHEMBL17625485 | 0.83 | MEN1 (0.40) | MEN1KMT2AKDM4EFLT3CYP1A2 | |
| SCHEMBL17625458 | 0.80 | MAPT (0.49) | MEN1KMT2AKDM4ECYP1A2CYP2C19 | |
| SCHEMBL19353122 | 0.79 | KDM4E (0.38) | MEN1KMT2AKDM4EFLT3CYP1A2 | |
| SCHEMBL19352853 | 0.78 | TBK1 (0.45) | MEN1KMT2AKDM4EFLT3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016041972-A1 | BENZOTHIOPHENE, BENZYLOXYBENZYLIDENE AND INDOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF TUBERCULOSIS | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2016-03-24 | — | — | WO | disclosed |