Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9358469 | 0.80 | SRC (0.49) | SRCADORA2AADORA1ALDH1A1GAA | |
| SCHEMBL31310576 | 0.80 | SRC (0.49) | SRCADORA2AADORA1ALDH1A1GAA | |
| SCHEMBL10792772 | 0.79 | PKM (0.42) | PKMTBXAS1ALDH1A1GAANLRP3 | |
| SCHEMBL5542208 | 0.79 | SRC (0.49) | SRCADORA2AADORA1ALDH1A1GAA | |
| SCHEMBL988070 | 0.78 | TSHR (0.50) | SRCALDH1A1ALOX15KMT2AHSD17B10 | |
| SCHEMBL9181008 | 0.77 | ALDH1A1 (0.47) | PKMALDH1A1GAANLRP3KMT2A | |
| SCHEMBL3501658 | 0.75 | FFAR1 (0.41) | ADORA2AADORA1ALDH1A1GAAPARP1 | |
| SCHEMBL10911692 | 0.74 | SRC (0.43) | SRCADORA2AADORA1ALDH1A1GAA | |
| SCHEMBL28690726 | 0.74 | IAPP (0.45) | SRCADORA2AADORA1ALDH1A1SLC13A5 | |
| SCHEMBL14677799 | 0.74 | PNMT (0.43) | PKMALDH1A1GAANLRP3 |
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-2006036404-A1 | 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYLOALKYLMETHYL) IMIDAZOL-2-ONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |