Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14378432 | 1.00 | MIF (0.48) | MIFESR1ESR2SMN1; SMN2TSHR | |
| SCHEMBL12220660 | 0.86 | SMN1; SMN2 (0.49) | SMN1; SMN2TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL21129084 | 0.85 | CYP1A2 (0.56) | TSHRCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL25997018 | 0.85 | CYP1A2 (0.56) | TSHRCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL2224275 | 0.85 | PPARG (0.46) | ESR1ESR2SMN1; SMN2CYP2C9PPARG | |
| SCHEMBL10938219 | 0.84 | TSHR (0.58) | TSHRALDH1A1LMNAPPARGPPARA | |
| SCHEMBL22542322 | 0.84 | SMN1; SMN2 (0.55) | MIFSMN1; SMN2TSHRCYP1A2CYP2D6 | |
| SCHEMBL7413009 | 0.83 | PPARG (0.51) | SMN1; SMN2TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29384572 | 0.83 | PPARG (0.52) | SMN1; SMN2TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9656236 | 0.82 | SMN1; SMN2 (0.65) | SMN1; SMN2PPARGPPARA |
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 |
|---|---|---|---|---|---|---|---|
| US-6756489-B1 | PROTECTED MONOSACCHARIDES HAVING AN ALLYL PROTECTING GROUP, A SILANE-PROTECTED HYDROXY GROUP AND A CARBOXY OR AMIDE CONTAINING PROTECTIVE GROUP; EASILY MADE BY COMBINATORIAL CHEMISTRY; APPLICATIONS TO AUTOIMMUNE AND CANCER | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-06-29 | — | — | US | disclosed |