Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9408731 | 0.89 | ADRB2 (0.43) | ALDH1A1ADRB2ADRB1ADRB3EDNRB | |
| SCHEMBL9408865 | 0.85 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL9408733 | 0.84 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL9408689 | 0.81 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL9408696 | 0.81 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL9408719 | 0.81 | — | — | |
| SCHEMBL9408634 | 0.80 | ADORA3 (0.37) | ALDH1A1EDNRBEDNRA | |
| SCHEMBL9408609 | 0.80 | TSHR (0.38) | TSHRALDH1A1 | |
| SCHEMBL9408667 | 0.79 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL9408626 | 0.79 | L3MBTL1 (0.36) | ALDH1A1 |
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-0593998-A1 | Pyrimidinylthioalkane herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1994-04-27 | — | — | EP | disclosed |