Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TACR3 | P29371 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | TACR2 | P21452 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10675187 | 0.85 | LMNA (0.59) | KDM4ETACR3LMNATACR2TP53 | |
| SCHEMBL28159691 | 0.85 | SMN1; SMN2 (0.53) | KDM4EALDH1A1GAAHPGDTACR3 | |
| Hydrochloric Acid SCHEMBL10681943 | 0.84 | LMNA (0.58) | TACR3LMNATACR2TP53PDE10A | |
| SCHEMBL13990854 | 0.81 | LMNA (0.50) | KDM4EALDH1A1GAAHPGDTACR3 | |
| SCHEMBL3343183 | 0.81 | KDM4E (0.69) | KDM4EALDH1A1GAAHPGDLMNA | |
| SCHEMBL14492079 | 0.80 | PDE10A (0.68) | TACR3LMNATACR2TP53PDE10A | |
| Iodide SCHEMBL10800767 | 0.79 | KDM4E (0.67) | KDM4EALDH1A1GAAHPGDLMNA | |
| SCHEMBL28131052 | 0.78 | ALDH1A1 (0.46) | KDM4EALDH1A1GAAHPGDTACR3 | |
| SCHEMBL13957865 | 0.77 | TACR3 (0.62) | TACR3LMNATACR2TP53PDE10A | |
| SCHEMBL14533471 | 0.77 | KDM4E (0.53) | KDM4EALDH1A1GAAHPGDTACR3 |
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-103113293-B | Polysubstituted quinoline derivative and preparation method thereof | UNIV TSINGHUA | 2015-01-21 | — | — | CN | disclosed |