Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.82 |
| ▸ | FAAH | O00519 | 2/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ADH1B | P00325 | 2/20 | 0.42 |
| ▸ | ADH1C | P00326 | 2/20 | 0.42 |
| ▸ | ADH1A | P07327 | 2/20 | 0.42 |
| ▸ | ADH7 | P40394 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ADH4 | P08319 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 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 | |
|---|---|---|---|---|
| Hexanal SCHEMBL27345398 | 0.92 | TSHR (0.79) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Pentanal SCHEMBL28721 | 0.91 | — | — | |
| Pentanal SCHEMBL622584 | 0.91 | TSHR (1.00) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Tridecanal SCHEMBL27305212 | 0.89 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Tetradecanal SCHEMBL21836105 | 0.89 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Dodecanal SCHEMBL2438924 | 0.89 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Heptanal SCHEMBL27475029 | 0.89 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Undecanal SCHEMBL27506742 | 0.89 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Trimethylammonium SCHEMBL7634129 | 0.89 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Pentanal SCHEMBL1628430 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102245779-A | Biosynthesis of bulk chemicals | BIO ARCHITECTURE LAB INC | 2011-11-16 | — | — | CN | disclosed |
| US-20110235230-A1 | TOUCH SCREEN | SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) | 2011-09-29 | — | — | US | disclosed |