Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 SCHEMBL9841491 | 0.97 | LTA4H (0.55) | CHRNB4CHRNA3CHRNA7LTA4HNPC1 | |
| Fluoride SCHEMBL9841202 | 0.96 | LTA4H (0.54) | CHRNB4CHRNA3CHRNA7LTA4HNPC1 | |
| Fluoride SCHEMBL9842040 | 0.96 | LTA4H (0.54) | CHRNB4CHRNA3CHRNA7LTA4HNPC1 | |
| Fluoride SCHEMBL9841946 | 0.96 | LTA4H (0.54) | CHRNB4CHRNA3CHRNA7LTA4HNPC1 | |
| Fluoride SCHEMBL9841489 | 0.94 | CHRNB4 (0.54) | CHRNB4CHRNA3CHRNA7LTA4HNPC1 | |
| Fluoride SCHEMBL9841646 | 0.89 | ALDH1A1 (0.53) | CHRNB4CHRNA3CHRNA7LTA4HNPC1 | |
| Fluoride SCHEMBL9841613 | 0.87 | CYP1A2 (0.56) | RAB9ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| Fluoride SCHEMBL9841828 | 0.85 | CYP3A4 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11289148 | 0.85 | LTA4H (0.66) | CHRNB4CHRNA3CHRNA7LTA4HNPC1 | |
| Fluoride SCHEMBL9841351 | 0.84 | CYP3A4 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |