Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL15227743 | 0.85 | RAB9A (0.44) | TAS1R3TAS1R1GAARAB9AL3MBTL1 | |
| SCHEMBL403947 | 0.85 | PTPN11 (0.38) | TAS1R3TAS1R1GAARAB9ALNPEP | |
| SCHEMBL1105518 | 0.85 | PTPN11 (0.38) | TAS1R3TAS1R1GAARAB9ALNPEP | |
| SCHEMBL9087370 | 0.85 | EPHX2 (0.43) | GAARAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL9087368 | 0.85 | EPHX2 (0.43) | GAARAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL15227850 | 0.81 | — | — | |
| SCHEMBL19684300 | 0.78 | TAS1R3 (0.40) | TAS1R3TAS1R1GAARAB9ALNPEP | |
| SCHEMBL13245476 | 0.78 | L3MBTL1 (0.50) | TAS1R3TAS1R1GAARAB9ALNPEP | |
| SCHEMBL28940166 | 0.78 | TAS1R3 (0.45) | TAS1R3TAS1R1GAARAB9ALNPEP | |
| SCHEMBL20299887 | 0.78 | TAS1R3 (0.45) | TAS1R3TAS1R1GAARAB9ALNPEP |
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-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |