Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 7/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Dodecanoate SCHEMBL9807058 | 1.00 | FABP3 (0.56) | FABP3CA1CES2CES1ALDH1A1 | |
| Stearic Acid SCHEMBL11553981 | 1.00 | FABP3 (0.56) | FABP3CA1CES2CES1ALDH1A1 | |
| Dodecanoate SCHEMBL9128358 | 0.85 | FABP3 (0.72) | FABP3CA1CES2CES1NFKB1 | |
| Palmitic Acid SCHEMBL9127702 | 0.85 | FABP3 (0.72) | FABP3CA1CES2CES1NFKB1 | |
| Palmitic Acid SCHEMBL138184 | 0.85 | FABP3 (0.72) | FABP3CA1CES2CES1NFKB1 | |
| Stearic Acid SCHEMBL1628930 | 0.85 | FABP3 (0.72) | FABP3CA1CES2CES1ALDH1A1 | |
| Myristic Acid SCHEMBL2347949 | 0.85 | FABP3 (0.72) | FABP3CA1CES2CES1NFKB1 | |
| Decanoic Acid SCHEMBL675648 | 0.85 | FABP3 (0.72) | FABP3CA1CES2CES1NFKB1 | |
| Undecanoate SCHEMBL8371764 | 0.85 | FABP3 (0.72) | FABP3CA1CES2CES1NFKB1 | |
| Myristic Acid SCHEMBL3761890 | 0.85 | FABP3 (0.72) | FABP3CA1CES2CES1NFKB1 |
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-0061013-B1 | PROCESS FOR THE PREPARATION OF POLYISOCYANATES | BAYER AG (DE) | 1984-06-27 | — | — | EP | disclosed |
| EP-0061013-A1 | Process for the preparation of polyisocyanates | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |