Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL29655291 | 0.77 | ALDH1A1 (0.32) | TDP1 | |
| SCHEMBL10081183 | 0.76 | TDP1 (0.42) | TDP1TSHRCYP3A4 | |
| SCHEMBL10595844 | 0.75 | — | — | |
| SCHEMBL873242 | 0.74 | TDP1 (0.58) | TDP1TSHRCYP3A4 | |
| SCHEMBL10598508 | 0.73 | — | — | |
| SCHEMBL28366697 | 0.72 | TDP1 (0.36) | TDP1TSHR | |
| Ethane SCHEMBL17791907 | 0.72 | TDP1 (0.61) | TDP1TSHRCYP3A4 | |
| SCHEMBL10338117 | 0.72 | ALDH1A1 (0.38) | TDP1TSHR | |
| SCHEMBL1537282 | 0.70 | CYP3A4 (0.43) | TSHRCYP3A4APP | |
| SCHEMBL27955078 | 0.69 | TDP1 (0.38) | TDP1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003673-A | — | — | None | — | — | JP | disclosed |
| JP-2003673-A | — | — | None | — | — | JP | disclosed |
| JP-H023673-A | ALKYL 3-METHYLTHIO-BTYRATE, FLAVOR COMPOSITION CONTAINING AT LEAST ONE SUCH COMPOUND AS FLAVOR COMPONENT, AND FOOD AND EXCITATORY FOOD AND DRINK FLAVORED WITH THE SAME | NAARDEN INTERNATL NV | 1990-01-09 | — | — | JP | disclosed |
| JP-H023673-A | ALKYL 3-METHYLTHIO-BTYRATE, FLAVOR COMPOSITION CONTAINING AT LEAST ONE SUCH COMPOUND AS FLAVOR COMPONENT, AND FOOD AND EXCITATORY FOOD AND DRINK FLAVORED WITH THE SAME | NAARDEN INTERNATL NV | 1990-01-09 | — | — | JP | disclosed |