Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9111003 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL9567347 | 0.76 | GGPS1 (0.32) | — | |
| SCHEMBL11498755 | 0.71 | ALDH1A1 (0.37) | ALDH1A1TSHRHTT | |
| SCHEMBL7252450 | 0.70 | ALDH1A1 (0.39) | ALDH1A1TSHRHTT | |
| SCHEMBL1716936 | 0.70 | ALDH1A1 (0.39) | ALDH1A1TSHRHTT | |
| SCHEMBL11131461 | 0.70 | ALDH1A1 (0.39) | ALDH1A1TSHRHTT | |
| SCHEMBL5703515 | 0.68 | ALDH1A1 (0.38) | ALDH1A1TSHRHTT | |
| SCHEMBL1717016 | 0.68 | TSHR (0.41) | ALDH1A1TSHRHTT | |
| SCHEMBL1378857 | 0.67 | ALDH1A1 (0.37) | ALDH1A1TSHRHTT | |
| SCHEMBL5904292 | 0.67 | ALDH1A1 (0.50) | ALDH1A1TSHRHTT |
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-0330254-B1 | ALKYL (3-METHYLTHIO)-BUTYRATES, AS WELL AS FLAVOUR COMPOSITIONS AND FLAVOURED FOODSTUFFS AND STIMULANTS CONTAINING ONE OR MORE OF THESE COMPOUNDS AS FLAVOUR COMPONENT | NAARDEN INTERNATIONAL N.V. (NL) | 1991-11-27 | — | — | EP | claimed |
| EP-0330254-B1 | ALKYL (3-METHYLTHIO)-BUTYRATES, AS WELL AS FLAVOUR COMPOSITIONS AND FLAVOURED FOODSTUFFS AND STIMULANTS CONTAINING ONE OR MORE OF THESE COMPOUNDS AS FLAVOUR COMPONENT | NAARDEN INTERNATIONAL N.V. (NL) | 1991-11-27 | — | — | EP | disclosed |
| EP-0330254-A1 | Alkyl (3-methylthio)-butyrates, as well as flavour compositions and flavoured foodstuffs and stimulants containing one or more of these compounds as flavour component | NAARDEN INTERNATIONAL N.V. (NL) | 1989-08-30 | — | — | EP | disclosed |