Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28714121 | 0.89 | NFE2L2 (0.53) | NFE2L2THRBTHRACYP1A1CYP1A2 | |
| SCHEMBL29135178 | 0.86 | PTPN1 (0.42) | ABCG2NFE2L2MAPTTDP1THRB | |
| SCHEMBL27643866 | 0.83 | HDAC4 (0.52) | NFE2L2THRBTHRAKDM4ETYMS | |
| SCHEMBL24810564 | 0.81 | NFE2L2 (0.47) | ABCG2NFE2L2MAPTTHRBTHRA | |
| SCHEMBL27644692 | 0.81 | ERN1 (0.46) | ABCG2THRBTUBB1HTR1A | |
| SCHEMBL25853782 | 0.80 | TYMS (0.37) | ABCG2NFE2L2MAPTTDP1THRB | |
| SCHEMBL29277282 | 0.80 | CYP1A1 (0.47) | MAPTTHRBTHRACYP1A1CYP1A2 | |
| SCHEMBL25874471 | 0.80 | KDM4E (0.44) | THRBTHRACYP1A2KDM4EHPGD | |
| SCHEMBL28088755 | 0.80 | PTPN1 (0.47) | NFE2L2TDP1THRBTHRALMNA | |
| SCHEMBL29999157 | 0.79 | THRA (0.53) | NFE2L2MAPTTDP1THRBTHRA |
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-109651253-A | Cinnamic acid ester derivant and its application as nerve protection medicine | 上海医药工业研究院 | 2019-04-19 | — | — | CN | disclosed |