Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | FPR1 | P21462 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19359097 | 1.00 | TSHR (0.50) | TSHRTP53SLC7A5CYP2C9PDE4A | |
| SCHEMBL28397725 | 1.00 | TSHR (0.50) | TSHRTP53SLC7A5CYP2C9PDE4A | |
| SCHEMBL3760910 | 1.00 | TSHR (0.50) | TSHRTP53SLC7A5CYP2C9PDE4A | |
| SCHEMBL259033 | 1.00 | TSHR (0.50) | TSHRTP53SLC7A5CYP2C9PDE4A | |
| SCHEMBL19585105 | 1.00 | TSHR (0.50) | TSHRTP53SLC7A5CYP2C9PDE4A | |
| SCHEMBL3137028 | 1.00 | TSHR (0.50) | TSHRTP53SLC7A5CYP2C9PDE4A | |
| SCHEMBL2246998 | 0.83 | TSHR (0.45) | TSHRTP53SLC7A5CYP2C9PDE4A | |
| SCHEMBL2251994 | 0.83 | TSHR (0.45) | TSHRTP53SLC7A5CYP2C9PDE4A | |
| SCHEMBL25787135 | 0.83 | TP53 (0.43) | TSHRTP53SLC7A5CYP2C9FPR1 | |
| Butyric Acid SCHEMBL16972049 | 0.82 | FFAR3 (0.52) | TSHRPDE4A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017161041-A1 | MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-09-21 | — | — | WO | disclosed |
| EP-2565265-A1 | Isopropylmalate synthase from Nicotiana tabacum and methods and uses thereof | Philip Morris Products S.A. (CH) | 2013-03-06 | — | — | EP | disclosed |