Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.45 |
| ▸ | TOP2A | P11388 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 3/20 | 0.41 |
| ▸ | GABRD | O14764 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.41 |
| ▸ | GABRE | P78334 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20135932 | 0.73 | P2RX4 (0.50) | MAPTSMN1; SMN2NPSR1 | |
| SCHEMBL26298481 | 0.70 | KDM4E (0.47) | AURKAKDRAURKBKDM4EMAPT | |
| SCHEMBL19797662 | 0.70 | KDM4E (0.66) | AURKAKDRAURKBKDM4EMAPT | |
| SCHEMBL15024918 | 0.68 | GABRP (0.51) | KDM4EMAPTGPR3GABRPGABRD | |
| SCHEMBL3739494 | 0.67 | KDM4E (0.62) | KDM4EMAPTGPR3TOP2AGABRP | |
| SCHEMBL13100682 | 0.67 | UTS2R (0.54) | KDM4EMAPTGPR3TOP2AGABRP | |
| SCHEMBL15024745 | 0.66 | GPR3 (0.64) | KDM4EMAPTGPR3TOP2AGABRP | |
| SCHEMBL13227990 | 0.66 | KDM4E (0.67) | KDM4EMAPTGPR3GABRPGABRD | |
| SCHEMBL14313953 | 0.66 | GPR3 (0.71) | KDM4EMAPTGPR3TOP2AGABRP | |
| SCHEMBL31305724 | 0.66 | RET (0.45) | AURKAKDRAURKBKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538529-B1 | SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS | MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) | 2022-01-19 | — | — | EP | disclosed |
| WO-2018087389-A1 | SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS | MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |