Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19445301 | 0.77 | TSHR (0.52) | TSHRCYP3A4TDP1MAPK1CASR | |
| SCHEMBL9252917 | 0.77 | KCNN4 (0.38) | TSHRCYP3A4TDP1ALDH1A1 | |
| SCHEMBL9239974 | 0.74 | TSHR (0.58) | TSHRCYP3A4TDP1MAPK1CASR | |
| SCHEMBL799844 | 0.73 | TSHR (0.62) | TSHRCYP3A4TDP1MAPK1CASR | |
| SCHEMBL11044678 | 0.72 | MEN1 (0.52) | TSHRMAPK1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7913316 | 0.72 | TSHR (0.61) | TSHRCYP3A4TDP1MAPK1CASR | |
| SCHEMBL18243045 | 0.71 | TSHR (0.60) | TSHRCYP3A4TDP1MAPK1CASR | |
| SCHEMBL3654239 | 0.71 | TSHR (0.60) | TSHRCYP3A4TDP1MAPK1CASR | |
| SCHEMBL7237150 | 0.71 | TSHR (0.54) | TSHRCYP3A4TDP1MAPK1CASR | |
| SCHEMBL9250886 | 0.70 | TP53 (0.38) | CYP3A4TDP1CASRTP53MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4460793-A | REACTING 1,1-DICHLOROALKENE AND PHENOLATE TO OBTAIN PHENYLETHER INTERMEDIATE, ACID HYDROLYSIS | BAYER AKTIENGESELLSCHAFT (DE) | 1984-07-17 | — | — | US | disclosed |
| EP-0055427-B1 | PROCESS FOR THE PRODUCTION OF MONOCHLOROMETHYL KETONES | BAYER AG (DE) | 1984-05-02 | — | — | EP | disclosed |
| EP-0055427-A1 | Process for the production of monochloromethyl ketones | BAYER AG (DE) | 1982-07-07 | — | — | EP | disclosed |