Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | EGLN3 | Q9H6Z9 | 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 | |
|---|---|---|---|---|
| SCHEMBL9510167 | 0.95 | ACHE (0.42) | GRM5CA12CA2CA9KCNH2 | |
| SCHEMBL9508752 | 0.89 | FFAR1 (0.37) | GRM5CA12CA2CA9KCNH2 | |
| SCHEMBL9509130 | 0.89 | FFAR1 (0.37) | GRM5CA12CA2CA9KCNH2 | |
| SCHEMBL9512352 | 0.87 | FFAR1 (0.41) | FFAR1 | |
| SCHEMBL9512412 | 0.87 | FFAR1 (0.41) | FFAR1 | |
| SCHEMBL10448697 | 0.86 | GRM5 (0.37) | GRM5CA12CA2CA9KCNH2 | |
| SCHEMBL9511284 | 0.85 | FFAR1 (0.40) | FFAR1 | |
| SCHEMBL9512324 | 0.85 | FFAR1 (0.40) | FFAR1 | |
| SCHEMBL9508912 | 0.84 | TSHR (0.45) | FFAR1 | |
| SCHEMBL9512364 | 0.84 | TSHR (0.45) | FFAR1 |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |