Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.62 |
| ▸ | TTR | P02766 | 3/20 | 0.62 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | TYR | P14679 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | FDPS | P14324 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18100212 | 0.83 | APP (0.69) | APPTTRPTPN1EPHX2CA12 | |
| SCHEMBL28912706 | 0.83 | AKR1C3 (0.59) | APPTTRPTPN1CA12CA1 | |
| Methylcaffeate SCHEMBL28177340 | 0.80 | APP (0.85) | APPTTRPTPN1EPHX2CA12 | |
| SCHEMBL28548385 | 0.79 | EPHX2 (0.67) | APPTTRPTPN1EPHX2CA12 | |
| SCHEMBL19538090 | 0.79 | APP (0.68) | APPTTRPTPN1EPHX2CA12 | |
| SCHEMBL9221081 | 0.79 | CA12 (0.58) | APPTTRPTPN1EPHX2CA12 | |
| SCHEMBL9221078 | 0.79 | CA12 (0.58) | APPTTRPTPN1EPHX2CA12 | |
| Plicatin B SCHEMBL1227605 | 0.78 | AKR1C3 (0.73) | APPTTRPTPN1EPHX2CA12 | |
| Methylcaffeate SCHEMBL198252 | 0.78 | APP (1.00) | APPTTRPTPN1EPHX2CA12 | |
| Methylcaffeate SCHEMBL30963730 | 0.78 | APP (1.00) | APPTTRPTPN1EPHX2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109678923-B | Tripterine (iso) ferulic acid ester derivative and preparation method and application thereof | 中国药科大学 | 2021-04-27 | — | — | CN | disclosed |