Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2468067 | 1.00 | TYR (0.39) | TYRTAAR1ESR1PDCD1ESR2 | |
| SCHEMBL8939782 | 1.00 | TYR (0.39) | TYRTAAR1ESR1PDCD1ESR2 | |
| SCHEMBL2058608 | 0.89 | ESR1 (0.46) | ESR1PDCD1ESR2CD274 | |
| SCHEMBL9690683 | 0.87 | PTGS2 (0.42) | TYRTAAR1ESR1PDCD1ESR2 | |
| Water SCHEMBL28094960 | 0.87 | TAAR1 (0.48) | TYRTAAR1ESR1PDCD1ESR2 | |
| Benzene SCHEMBL28192760 | 0.84 | TAAR1 (0.50) | TYRTAAR1ESR1PDCD1ESR2 | |
| SCHEMBL7499823 | 0.84 | TAAR1 (0.50) | TYRTAAR1ESR1PDCD1ESR2 | |
| SCHEMBL169730 | 0.84 | TAAR1 (0.50) | TYRTAAR1ESR1PDCD1ESR2 | |
| SCHEMBL8643448 | 0.81 | ESR1 (0.55) | TYRTAAR1ESR1PDCD1ESR2 | |
| Ethane SCHEMBL11274743 | 0.81 | TAAR1 (0.48) | TYRTAAR1ESR1PDCD1ESR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113968774-A | Polyaryl compound in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2022-01-25 | — | — | CN | claimed |
| CN-113968774-B | Polyarylate in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-113968774-A | Polyaryl compound in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2022-01-25 | — | — | CN | disclosed |
| CN-113968774-A | Polyaryl compound in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2022-01-25 | — | — | CN | disclosed |
| US-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |