Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.77 |
| ▸ | MEN1 | O00255 | 4/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 5/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.31 |
| ▸ | SLCO1B1 | Q9Y6L6 | 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 | |
|---|---|---|---|---|
| Di(Hydroxyethyl)Ether SCHEMBL6171 | 1.00 | TSHR (0.77) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Triethylene Glycol SCHEMBL16125 | 0.96 | MEN1 (0.79) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Tetraethylene Glycol SCHEMBL14919 | 0.96 | MEN1 (0.79) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL5692208 | 0.96 | TSHR (0.71) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL19915288 | 0.93 | TSHR (0.67) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL3322788 | 0.93 | TSHR (0.67) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL9403004 | 0.90 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Triethylene Glycol SCHEMBL7858578 | 0.90 | MEN1 (0.69) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL9043761 | 0.90 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL6856328 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996007633-A1 | PHENYLACETIC ACID ALKYL ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 1996-03-14 | — | — | WO | disclosed |