Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL8948168 | 1.00 | EPHX1 (0.38) | EPHX1TAS1R3TAS1R1CA1CA2 | |
| SCHEMBL2688800 | 0.83 | EPHX1 (0.38) | EPHX1TAS1R3TAS1R1CA1CA2 | |
| SCHEMBL12842511 | 0.81 | EPHX1 (0.33) | EPHX1TAS1R3TAS1R1CA1CA2 | |
| SCHEMBL2220502 | 0.79 | UGT2B7 (0.34) | EPHX1TAS1R3TAS1R1CA1CA2 | |
| SCHEMBL10151521 | 0.76 | TAS1R3 (0.34) | EPHX1TAS1R3TAS1R1 | |
| SCHEMBL31356724 | 0.73 | PTPN2 (0.35) | PTPN2PTPN1 | |
| SCHEMBL14142775 | 0.73 | CA1 (0.40) | EPHX1CA1CA2CA4 | |
| SCHEMBL809692 | 0.71 | CES2 (0.35) | EPHX1PTPN2PTPN1 | |
| SCHEMBL814591 | 0.71 | CES2 (0.35) | EPHX1PTPN2PTPN1 | |
| SCHEMBL26090607 | 0.70 | CA1 (0.36) | EPHX1CA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5484949-A | Method for the synthesis of α β-unsaturated ketones | NIPPON SODA CO., LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0454867-A1 | A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. | NIPPON SODA CO (JP) | 1991-11-06 | — | — | EP | disclosed |
| WO-1991007370-A1 | A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES | NIPPON SODA CO., LTD. (JP) | 1991-05-30 | — | — | WO | disclosed |