Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | DDO | Q99489 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16627859 | 0.88 | SMYD3 (0.56) | SMYD3DAODDOKDM4EALDH1A1 | |
| SCHEMBL16627860 | 0.86 | KDM4E (0.53) | SMYD3DAODDOKDM4EALDH1A1 | |
| SCHEMBL16627598 | 0.85 | SMYD3 (0.54) | SMYD3DAODDOKDM4EALDH1A1 | |
| SCHEMBL16627703 | 0.84 | KDM4E (0.58) | SMYD3DAODDOKDM4EALDH1A1 | |
| SCHEMBL1218081 | 0.84 | SMYD3 (0.53) | SMYD3DAODDOKDM4EALDH1A1 | |
| SCHEMBL34468710 | 0.83 | KDM4E (0.64) | SMYD3KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL16627858 | 0.83 | DRD2 (0.58) | SMYD3DAODDOKDM4EALDH1A1 | |
| SCHEMBL16627604 | 0.82 | SMYD3 (0.51) | SMYD3DAODDOKDM4EALDH1A1 | |
| SCHEMBL16627646 | 0.82 | SMYD3 (0.54) | SMYD3DAODDOKDM4EALDH1A1 | |
| SCHEMBL16627861 | 0.81 | DRD2 (0.70) | SMYD3KDM4EALDH1A1TSHRHSD17B10 |
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-2015050379-A1 | NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF | 광주과학기술원 | 2015-04-09 | — | — | WO | disclosed |