Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9405189 | 0.73 | TSHR (0.52) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL21925308 | 0.73 | TSHR (0.52) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL1471824 | 0.71 | TSHR (0.48) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL29626009 | 0.71 | TSHR (0.48) | TSHRMAOBKDM4EADORA3AR | |
| SCHEMBL21858953 | 0.68 | SLC6A2 (0.40) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL987488 | 0.68 | — | — | |
| SCHEMBL1943997 | 0.68 | — | — | |
| SCHEMBL21026 | 0.68 | — | — | |
| SCHEMBL28467238 | 0.68 | TSHR (1.00) | TSHRMAOBKDM4EADORA3AR | |
| Methyl Alcohol SCHEMBL8766879 | 0.67 | TSHR (0.85) | TSHRCHRM2CHRM4CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0854143-B1 | Diels-Alder reaction of aldehydes with simple dienes | QUEST INT (NL) | 2001-11-07 | — | — | EP | disclosed |
| US-6114548-A | TO YIELD 5,6-DIHYDROPYRANS | QUEST INTERNATIONAL B.V. (NL) | 2000-09-05 | — | — | US | disclosed |
| EP-0854143-A1 | Diels-Alder reaction of aldehydes with simple dienes | QUEST INTERNATIONAL B.V. (NL) | 1998-07-22 | — | — | EP | disclosed |