Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2890308 | 0.95 | ESR2 (0.49) | ESR2HTR2CALDH1A1NPC1CASP3 | |
| SCHEMBL11441811 | 0.94 | ESR2 (0.47) | ESR2HTR2CALDH1A1NPC1CASP3 | |
| SCHEMBL11190434 | 0.89 | ESR2 (0.54) | ESR2ALDH1A1NPC1CASP3RAB9A | |
| SCHEMBL11195824 | 0.87 | ESR2 (0.53) | ESR2NPC1CASP3RAB9ASENP8 | |
| SCHEMBL11196416 | 0.87 | ESR2 (0.44) | ESR2HTR2CALDH1A1NPC1CASP3 | |
| SCHEMBL8448366 | 0.86 | ESR2 (0.43) | ESR2NPC1CASP3RAB9ASENP8 | |
| SCHEMBL8448364 | 0.86 | ESR2 (0.43) | ESR2NPC1CASP3RAB9ASENP8 | |
| SCHEMBL3480758 | 0.85 | TLR4 (0.38) | ESR2HTR2CALDH1A1NPC1CASP3 | |
| SCHEMBL9828942 | 0.85 | ESR2 (0.40) | ESR2NPC1CASP3RAB9ASENP8 | |
| SCHEMBL11362512 | 0.84 | ESR2 (0.50) | ESR2HTR2CALDH1A1NPC1CASP3 |
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-102659509-B | Preparation method of biphenyl liquid crystal compound | Yantai haichuan chemical product co ltd | 2015-04-22 | — | — | CN | disclosed |