Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963799 | 0.77 | ALDH1A1 (0.42) | TRPA1KMT2AEDNRBEDNRACA1 | |
| SCHEMBL1059176 | 0.67 | TSHR (0.40) | KMT2ACA1TSHRHTTCA2 | |
| SCHEMBL1059178 | 0.67 | TSHR (0.40) | KMT2ACA1TSHRHTTCA2 | |
| SCHEMBL603883 | 0.67 | CYP1A2 (0.45) | MAPK1ALDH1A1LMNATSHR | |
| SCHEMBL3855220 | 0.66 | TSHR (0.46) | CA1MAPK1ALDH1A1LMNATSHR | |
| SCHEMBL9176021 | 0.66 | MAPK1 (0.54) | KMT2AMAPK1ALDH1A1TSHR | |
| SCHEMBL5555540 | 0.65 | TRPA1 (0.42) | TRPA1KMT2ACA1MAPK1ALDH1A1 | |
| SCHEMBL1356758 | 0.64 | TSHR (0.48) | KMT2ACA1MAPK1ALDH1A1LMNA | |
| SCHEMBL27905975 | 0.64 | EDNRB (0.44) | EDNRBEDNRAMAPK1ALDH1A1TSHR | |
| SCHEMBL2959625 | 0.64 | EDNRB (0.44) | EDNRBEDNRAMAPK1ALDH1A1TSHR |
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-0399743-A1 | Phosphonomethylthio-alkoseypureine derivatives, intermediate products for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1990-11-28 | — | — | EP | disclosed |