Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14410468 | 1.00 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1DHFR | |
| SCHEMBL29570568 | 0.88 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ALDH1A1DHFR | |
| SCHEMBL767566 | 0.88 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ALDH1A1DHFR | |
| SCHEMBL29567211 | 0.88 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ALDH1A1DHFR | |
| SCHEMBL29402853 | 0.88 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ALDH1A1DHFR | |
| SCHEMBL38819 | 0.88 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ALDH1A1DHFR | |
| SCHEMBL78821 | 0.88 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ALDH1A1DHFR | |
| SCHEMBL6914233 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL13651922 | 0.76 | CYP1A2 (0.66) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL17983178 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19ALDH1A1DHFR |
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-2011005028-A2 | METHOD FOR PREPARING (S)-5-CHLORO-N-((3-(4-(5,6-DIHYDRO-4H-1,2,4-OXADIAZIN-3-YL)PHENYL)-2-OXOOXAZOLIDIN-5-YL)METHYL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES | LEGOCHEM BIOSCIENCE LTD. (KR) | 2011-01-13 | — | — | WO | disclosed |