Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4057738 | 1.00 | GAA (0.35) | GAACYP2C19ALOX12CTBP2ALDH1A1 | |
| SCHEMBL4060400 | 0.83 | CYP2C19 (0.40) | GAACYP2C19ALOX12ALDH1A1KDM4E | |
| SCHEMBL4060403 | 0.83 | CYP2C19 (0.40) | GAACYP2C19ALOX12ALDH1A1KDM4E | |
| SCHEMBL4058650 | 0.72 | CYP3A4 (0.39) | CYP2C19NPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4058658 | 0.72 | CYP3A4 (0.39) | CYP2C19NPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3504696 | 0.72 | HPGD (0.38) | GAACTBP2ALDH1A1KDM4ENPSR1 | |
| SCHEMBL4059130 | 0.70 | ALDH1A1 (0.45) | ALDH1A1KDM4EATMTDP1MMP9 | |
| SCHEMBL28892811 | 0.70 | CYP2C19 (0.39) | GAACYP2C19ALOX12CTBP2ALDH1A1 | |
| SCHEMBL20210869 | 0.69 | CASR (0.39) | GAACYP2C19ALOX12ATMCHRM3 | |
| SCHEMBL4057733 | 0.69 | GAA (0.43) | GAACYP2C19ALDH1A1KDM4EATM |
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-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | disclosed |