Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19966056 | 0.88 | TSHR (0.34) | CYP1A2BTN3A1 | |
| SCHEMBL662434 | 0.81 | BTN3A1 (0.43) | BTN3A1TDP1 | |
| SCHEMBL11501633 | 0.80 | — | — | |
| SCHEMBL13337341 | 0.78 | BTN3A1 (0.41) | BTN3A1TDP1 | |
| SCHEMBL18040259 | 0.78 | BTN3A1 (0.41) | BTN3A1TDP1 | |
| SCHEMBL10458961 | 0.76 | — | — | |
| SCHEMBL193470 | 0.75 | — | — | |
| Ethylene Glycol SCHEMBL3391637 | 0.74 | TSHR (0.40) | BTN3A1TDP1 | |
| SCHEMBL17626951 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL22187124 | 0.74 | ZDHHC20 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551829-A | Odorants and compositions comprising odorants | 丝趣科尔卡有限公司 | 2022-12-30 | — | — | CN | disclosed |
| EP-0673364-B1 | METHYLBUTOXY-PROPIONITRILES AND THEIR USE AS PERFUMES | QUEST INT (NL) | 1997-04-09 | — | — | EP | disclosed |
| US-5618784-A | Methylbutoxy-propionitriles and their use as perfumes | QUEST INTERNATIONAL B.V. (NL) | 1997-04-08 | — | — | US | disclosed |