Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL19113295 | 0.98 | ALDH1A1 (0.32) | ALDH1A1TSHRL3MBTL1ACHE | |
| SCHEMBL9188236 | 0.98 | ALDH1A1 (0.32) | ALDH1A1TSHRL3MBTL1ACHE | |
| SCHEMBL18415043 | 0.81 | ALDH1A1 (0.34) | ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL16519489 | 0.75 | — | — | |
| SCHEMBL14572986 | 0.75 | — | — | |
| SCHEMBL8852364 | 0.74 | — | — | |
| SCHEMBL7790440 | 0.72 | KMT2A (0.35) | ALDH1A1ACHE | |
| SCHEMBL28280105 | 0.69 | — | — | |
| SCHEMBL6759564 | 0.68 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL6900517 | 0.68 | ALDH1A1 (0.31) | ALDH1A1TSHR |
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-5530164-A | Process for the production of trans-3,3,5-trimethylcyclohexyl ethyl ether | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1996-06-25 | — | — | US | disclosed |