Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27596054 | 0.82 | KDM4E (0.43) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL797847 | 0.80 | KDM4E (0.47) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL797816 | 0.74 | KDM4E (0.42) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL797469 | 0.72 | KDM4E (0.67) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL6364635 | 0.70 | KDM4E (0.39) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL797874 | 0.70 | LDHA (0.44) | KDM4EALDH1A1HPGDGAAPPARG | |
| SCHEMBL7915227 | 0.70 | KDM4E (0.58) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL10695260 | 0.70 | KDM4E (0.58) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL3730672 | 0.68 | KDM4E (0.56) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL797601 | 0.67 | LDHA (0.36) | KDM4EALDH1A1HPGDGAA |
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-105566053-A | Dihydro naphthacene and analogue thereof and synthetic method | NANTONG DONGCHANG CHEMICAL IND CO LTD | 2016-05-11 | — | — | CN | disclosed |