Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL28918962 | 0.77 | TSHR (0.38) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Propanol SCHEMBL31488643 | 0.77 | LMNA (0.32) | ALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL11345491 | 0.73 | TSHR (0.67) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL6822515 | 0.73 | TSHR (0.67) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL28370207 | 0.73 | TSHR (0.77) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL21114474 | 0.72 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL3667373 | 0.71 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Tetraethylene Glycol SCHEMBL17006462 | 0.71 | MEN1 (0.69) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL8516943 | 0.70 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL15463763 | 0.70 | TSHR (0.71) | TSHRMAPK1MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0526497-B1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE | ATOTECH DEUTSCHLAND GMBH (DE) | 1995-02-08 | — | — | EP | claimed |