Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL9058728 | 0.83 | GSTP1 (0.42) | ALDH1A1CYP1A2CYP2C9GAAKDM4E | |
| SCHEMBL9058881 | 0.83 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL9059134 | 0.82 | GLA (0.37) | ALDH1A1LMNACYP1A2CYP2C9MAPT | |
| SCHEMBL9058693 | 0.81 | MAPK1 (0.43) | ALDH1A1ATMMAPK1LMNATHRB | |
| SCHEMBL9058568 | 0.81 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL9058576 | 0.80 | CA1 (0.37) | L3MBTL1MAPK1LMNACYP1A2CYP2C9 | |
| SCHEMBL9058877 | 0.78 | CYP1A2 (0.33) | ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL9058875 | 0.77 | KDM4E (0.54) | ALDH1A1L3MBTL1LMNATSHRCYP1A2 | |
| SCHEMBL8081077 | 0.77 | CYP1A2 (0.33) | ALDH1A1MAPK1LMNATHRBTSHR | |
| SCHEMBL9229348 | 0.76 | LMNA (0.38) | ALDH1A1MAPK1LMNATHRBTSHR |
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-1996016656-A1 | CONDENSED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-06 | — | — | WO | disclosed |