Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 6/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28639197 | 0.82 | FDPS (0.37) | TSHRFDPSACE2OPRM1ALDH1A1 | |
| SCHEMBL11568145 | 0.78 | CES1 (0.39) | FDPSCES1CES2ALDH1A1TP53 | |
| SCHEMBL8694144 | 0.77 | CES2 (0.37) | TSHRCES1CES2ALDH1A1 | |
| SCHEMBL26103894 | 0.76 | CES1 (0.42) | TSHRCES1CES2ACE2ALDH1A1 | |
| SCHEMBL11820110 | 0.74 | TSHR (0.39) | TSHRCES1CES2 | |
| SCHEMBL11820113 | 0.74 | TSHR (0.39) | TSHRCES1CES2 | |
| SCHEMBL17822687 | 0.74 | TSHR (0.35) | TSHR | |
| SCHEMBL100661 | 0.72 | — | — | |
| SCHEMBL5048524 | 0.71 | CES2 (0.40) | TSHRCES1CES2ALDH1A1 | |
| SCHEMBL3338775 | 0.71 | CA1 (0.37) | FDPSCES1CES2OPRM1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1311469-A1 | METHOD FOR PRODUCING BETA- KETOENOL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002016305-A1 | METHOD FOR PRODUCING β KETOENOL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-28 | — | — | WO | disclosed |
| US-5201937-A | SALICYCLIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-13 | — | — | US | disclosed |