Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10876120 | 0.85 | ATM (0.42) | ATMEPHX1CA12CA1CA2 | |
| SCHEMBL5512591 | 0.83 | SMN1; SMN2 (0.43) | ATMEPHX1CA12CA1CA2 | |
| SCHEMBL5519131 | 0.83 | SMN1; SMN2 (0.43) | ATMEPHX1CA12CA1CA2 | |
| SCHEMBL1716319 | 0.83 | SMN1; SMN2 (0.43) | ATMEPHX1CA12CA1CA2 | |
| SCHEMBL15668891 | 0.82 | EPHX1 (0.48) | EPHX1ALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL7120046 | 0.82 | EPHX1 (0.48) | EPHX1ALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL10599727 | 0.81 | EPHX1 (0.40) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL16586374 | 0.81 | EPHX1 (0.40) | EPHX1CA12CA1CA2MMP2 | |
| SCHEMBL30093936 | 0.79 | EPHX1 (0.44) | EPHX1ALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL6843635 | 0.79 | EPHX1 (0.43) | EPHX1CA12CA1CA2MMP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4593115-A | REACTING ALDEHYDE WITH ACYL CHLORIDE AND SODIUM IODIDE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-06-03 | — | — | US | disclosed |
| EP-0143601-A2 | Method for producing 1-iodoalkyl acylates | Takeda Chemical Industries, Ltd. (JP) | 1985-06-05 | — | — | EP | disclosed |