Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Aes-103 SCHEMBL278332 | 0.97 | ALDH1A1 (0.76) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| Aes-103 SCHEMBL17513182 | 0.86 | ALDH1A1 (0.88) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| Aes-103 SCHEMBL31307749 | 0.84 | — | — | |
| Aes-103 SCHEMBL4301696 | 0.83 | ALDH1A1 (0.76) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| Aes-103 SCHEMBL29399464 | 0.82 | ALDH1A1 (0.96) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| Aes-103 SCHEMBL31307061 | 0.82 | ALDH1A1 (0.96) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| Aes-103 SCHEMBL29742366 | 0.82 | ALDH1A1 (0.96) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| Aes-103 SCHEMBL1248422 | 0.82 | ALDH1A1 (0.96) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| Aes-103 SCHEMBL28986200 | 0.82 | ALDH1A1 (0.96) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| Aes-103 SCHEMBL28624601 | 0.82 | — | — |
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-2033958-A1 | Hydroxymethylfurfural ethers from sugars and di- and triols | Furanix Technologies B.V (NL) | 2009-03-11 | — | — | EP | disclosed |