Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.66 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.66 |
| ▸ | NQO2 | P16083 | 1/20 | 0.66 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8734306 | 1.00 | PTGS1 (0.66) | PTGS1PTGS2NQO2NR4A1NR4A2 | |
| SCHEMBL8732752 | 0.87 | ESR1 (0.57) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8732745 | 0.87 | ESR1 (0.57) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8734383 | 0.83 | PTGS2 (0.50) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8734382 | 0.83 | PTGS2 (0.50) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8733031 | 0.82 | NR4A1 (0.45) | PTGS1PTGS2NQO2NR4A1NR4A2 | |
| SCHEMBL8733032 | 0.82 | NR4A1 (0.45) | PTGS1PTGS2NQO2NR4A1NR4A2 | |
| SCHEMBL8727318 | 0.82 | PTGS1 (0.43) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8727321 | 0.82 | PTGS1 (0.43) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8732968 | 0.81 | ESR1 (0.50) | ESR1ESR2PLK1THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0834490-A1 | COMPOUNDS HAVING ALKYL-SUBSTITUTED ALKENYLENE MOIETY AND LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1998-04-08 | — | — | EP | disclosed |