Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL21644811 | 0.85 | ALDH1A1 (0.81) | ALDH1A1SOAT1THRBATML3MBTL1 | |
| SCHEMBL10779381 | 0.84 | ALDH1A1 (0.44) | ALDH1A1THRBATML3MBTL1TSHR | |
| Biphenyl SCHEMBL28087429 | 0.84 | ALDH1A1 (0.61) | ALDH1A1THRBATML3MBTL1TSHR | |
| Ethyl Acetate SCHEMBL3810832 | 0.82 | ALDH1A1 (0.64) | ALDH1A1SOAT1THRBATML3MBTL1 | |
| SCHEMBL3117465 | 0.81 | ALDH1A1 (0.52) | ALDH1A1SOAT1THRBATML3MBTL1 | |
| Succinic Acid Diethyl Ester SCHEMBL28025357 | 0.80 | CYP1A2 (0.47) | ALDH1A1THRBATML3MBTL1TSHR | |
| SCHEMBL1439244 | 0.78 | ALDH1A1 (0.54) | ALDH1A1SOAT1THRBATML3MBTL1 | |
| SCHEMBL4630680 | 0.78 | EPHX1 (0.53) | ALDH1A1SOAT1THRBATML3MBTL1 | |
| SCHEMBL11591733 | 0.78 | EPHX1 (0.53) | ALDH1A1SOAT1THRBATML3MBTL1 | |
| SCHEMBL304231 | 0.78 | EPHX1 (0.53) | ALDH1A1SOAT1THRBATML3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4673533-A | Oxobicyclononane derivatives, process for producing same and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1987-06-16 | — | — | US | disclosed |