Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4551873 | 0.94 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL8661051 | 0.93 | MCHR1 (0.51) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL9412381 | 0.82 | TDP1 (0.50) | ALDH1A1SMN1; SMN2GAALMNATSHR | |
| SCHEMBL9412332 | 0.81 | GAA (0.54) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL9412342 | 0.80 | MMP13 (0.52) | ALDH1A1GAALMNATSHRCA12 | |
| SCHEMBL3013104 | 0.80 | ALDH1A1 (0.80) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL3644246 | 0.77 | TDP1 (0.49) | ALDH1A1SMN1; SMN2LMNATSHRTDP1 | |
| SCHEMBL9412325 | 0.76 | TDP1 (0.47) | ALDH1A1SMN1; SMN2LMNATSHRTDP1 | |
| SCHEMBL7859452 | 0.76 | CA2 (0.62) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL8778830 | 0.74 | ALDH1A1 (0.77) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0588544-A2 | Fine pattern forming material and pattern formation process | WAKO PURE CHEMICAL INDUSTRIES LTD (JP) | 1994-03-23 | — | — | EP | disclosed |