Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.32 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9841804 | 0.99 | ESR2 (0.42) | ESR2CYP1A2CYP3A4CYP2C8S1PR3 | |
| Fluoride SCHEMBL9841522 | 0.99 | ESR2 (0.42) | ESR2CYP1A2CYP3A4CYP2C8S1PR3 | |
| Fluoride SCHEMBL9841777 | 0.99 | ESR2 (0.42) | ESR2CYP1A2CYP3A4CYP2C8S1PR3 | |
| Fluoride SCHEMBL9841667 | 0.96 | ESR2 (0.44) | ESR2CYP1A2FLT3TYRO3MERTK | |
| SCHEMBL11202118 | 0.91 | ESR2 (0.50) | ESR2CYP1A2CYP3A4CYP2C8S1PR3 | |
| Fluoride SCHEMBL9841884 | 0.90 | ESR2 (0.46) | ESR2BACE1NPC1CASP3RAB9A | |
| SCHEMBL11186528 | 0.90 | ESR2 (0.49) | ESR2CYP1A2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL11187499 | 0.90 | ESR2 (0.49) | ESR2CYP1A2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL11190672 | 0.90 | ESR2 (0.49) | ESR2CYP1A2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL11189197 | 0.90 | ESR2 (0.49) | ESR2CYP1A2CYP3A4CYP2C8S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5055223-A | For use in liquid crystal display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-10-08 | — | — | US | disclosed |