Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.48 |
| ▸ | ADH1B | P00325 | 2/20 | 0.48 |
| ▸ | ADH1C | P00326 | 2/20 | 0.48 |
| ▸ | ADH1A | P07327 | 2/20 | 0.48 |
| ▸ | ADH4 | P08319 | 2/20 | 0.48 |
| ▸ | ADH7 | P40394 | 2/20 | 0.48 |
| ▸ | FAAH | O00519 | 5/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL27819055 | 1.00 | TSHR (0.52) | TSHRTHRBEPHX1ADH1BADH1C | |
| Octane SCHEMBL27662924 | 1.00 | TSHR (0.52) | TSHRTHRBEPHX1ADH1BADH1C | |
| Heptane SCHEMBL28185364 | 0.97 | TSHR (0.50) | TSHRTHRBEPHX1ADH1BADH1C | |
| Octane SCHEMBL28184706 | 0.97 | TSHR (0.50) | TSHRTHRBEPHX1ADH1BADH1C | |
| Hexane SCHEMBL2754293 | 0.97 | TSHR (0.48) | TSHRTHRBEPHX1ADH1BADH1C | |
| Hexane SCHEMBL28112404 | 0.94 | TSHR (0.46) | TSHRTHRBEPHX1ADH1BADH1C | |
| Pentane SCHEMBL8157918 | 0.90 | — | — | |
| Pentane SCHEMBL28169289 | 0.88 | TSHR (0.44) | TSHRTHRBEPHX1ADH1BADH1C | |
| Formic Acid Methyl Ester SCHEMBL28432367 | 0.87 | TSHR (0.62) | TSHREPHX1ADH1BADH1CADH1A | |
| Formic Acid Methyl Ester SCHEMBL27670134 | 0.87 | MEN1 (0.52) | TSHRTHRBCES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104684560-A | Compounds that are S1P modulating agents and/or ATX modulating agents | BIOGEN IDEC INC | 2015-06-03 | — | — | CN | disclosed |