Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | ADH1B | P00325 | 2/20 | 0.47 |
| ▸ | ADH1C | P00326 | 2/20 | 0.47 |
| ▸ | ADH1A | P07327 | 2/20 | 0.47 |
| ▸ | ADH4 | P08319 | 2/20 | 0.47 |
| ▸ | ADH7 | P40394 | 2/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28340827 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL28042481 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL27396101 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL28438223 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL28393845 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL9815961 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL15649971 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL13265655 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL22099919 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A | |
| Octane SCHEMBL9464548 | 1.00 | TSHR (0.62) | TSHRALDH1A1ADH1BADH1CADH1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3559173-A1 | USE OF A MIXTURE OF A COMPLEX ESTER WITH A MONOCARBOXYLIC ACID TO REDUCE FRICTION | BASF SE (DE) | 2019-10-30 | — | — | EP | disclosed |
| WO-2018114350-A1 | USE OF A MIXTURE OF A COMPLEX ESTER WITH A MONOCARBOXYLIC ACID TO REDUCE FRICTION | BASF SE (DE) | 2018-06-28 | — | — | WO | disclosed |