Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.79 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.79 |
| ▸ | ESR1 | P03372 | 1/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.79 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.51 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.51 |
| ▸ | FLT1 | P17948 | 1/20 | 0.51 |
| ▸ | GRK5 | P34947 | 1/20 | 0.51 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.51 |
| ▸ | CDK8 | P49336 | 1/20 | 0.51 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.51 |
| ▸ | PRKX | P51817 | 1/20 | 0.51 |
| ▸ | JAK3 | P52333 | 1/20 | 0.51 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.51 |
| ▸ | BTK | Q06187 | 1/20 | 0.51 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL75695 | 0.89 | ESR1 (1.00) | ALDH1A1ESR2ESR1CYP3A4CHEK1 | |
| SCHEMBL19318218 | 0.88 | ALDH1A1 (0.59) | ALDH1A1ESR2ESR1CYP3A4CHEK1 | |
| Acetic Acid SCHEMBL11110259 | 0.85 | ESR1 (0.93) | ALDH1A1ESR2ESR1CYP3A4CHEK1 | |
| Propionic Acid SCHEMBL5027134 | 0.84 | ESR1 (0.90) | ALDH1A1ESR2ESR1CYP3A4CHEK1 | |
| SCHEMBL12289087 | 0.83 | ESR1 (0.87) | ALDH1A1ESR2ESR1CYP3A4CHEK1 | |
| SCHEMBL15829738 | 0.81 | MMP2 (0.54) | ALDH1A1ESR2ESR1CYP3A4CHEK1 | |
| SCHEMBL7825959 | 0.81 | NPC1 (0.50) | ALDH1A1ESR2ESR1CYP3A4HSD17B10 | |
| Cadaverine Tartrate SCHEMBL18132305 | 0.80 | ESR1 (0.81) | ALDH1A1ESR2ESR1CYP3A4CHEK1 | |
| SCHEMBL5927321 | 0.80 | CYP3A4 (0.65) | ALDH1A1ESR2ESR1CYP3A4CHEK1 | |
| SCHEMBL17577381 | 0.80 | ALDH1A1 (0.51) | ALDH1A1ESR2ESR1CYP3A4HSD17B10 |
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-9920062-B2 | Antimicrobial monomers and polymers, and their use in dental devices | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 2018-03-20 | — | — | US | disclosed |