Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GGT1 | P19440 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30511914 | 0.79 | PTPN1 (0.51) | KDM4ETDP1CYP3A4ALOX12SLC22A6 | |
| SCHEMBL13434056 | 0.79 | PTPN1 (0.51) | KDM4ETDP1CYP3A4ALOX12SLC22A6 | |
| SCHEMBL10488788 | 0.79 | KDM4E (0.77) | KDM4ETDP1CYP3A4ALOX12BRD4 | |
| SCHEMBL2882948 | 0.78 | MEN1 (0.54) | KDM4ETDP1CYP3A4ALOX12PDE5A | |
| SCHEMBL19036712 | 0.76 | SYK (0.49) | KDM4EPDE5AADRA1A | |
| SCHEMBL30940274 | 0.76 | SYK (0.49) | KDM4EPDE5AADRA1A | |
| SCHEMBL3832725 | 0.75 | CYP19A1 (0.47) | KDM4ETDP1HTTTSHRALDH1A1 | |
| SCHEMBL14638135 | 0.75 | KDM4E (0.57) | KDM4ETDP1CYP3A4ALOX12PDE5A | |
| SCHEMBL27516186 | 0.74 | KDM4E (0.50) | KDM4ETDP1CYP3A4ALOX12BRD4 | |
| SCHEMBL3362605 | 0.73 | HTT (0.46) | KDM4ETDP1CYP3A4ALOX12SLC22A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104507913-A | Antiproliferative benzo[b]azepin-2-ones | HOFFMANN LA ROCHE | 2015-04-08 | — | — | CN | disclosed |