Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29188967 | 0.86 | ALDH1A1 (0.73) | ALDH1A1THRBTSHRCYP3A4TP53 | |
| SCHEMBL8094497 | 0.85 | ALDH1A1 (0.89) | ALDH1A1THRBTSHRCYP3A4TP53 | |
| Ethylene SCHEMBL21750074 | 0.84 | ALDH1A1 (0.86) | ALDH1A1THRBTSHRCYP3A4TP53 | |
| Propane SCHEMBL11143722 | 0.83 | ALDH1A1 (0.93) | ALDH1A1THRBTSHRCYP3A4TP53 | |
| SCHEMBL14874 | 0.83 | THRB (0.55) | ALDH1A1THRBTSHRCYP3A4CYP2D6 | |
| SCHEMBL28273630 | 0.83 | THRB (0.55) | ALDH1A1THRBTSHRCYP3A4CYP2D6 | |
| SCHEMBL2048901 | 0.83 | ALDH1A1 (1.00) | ALDH1A1THRBTSHRCYP3A4TP53 | |
| SCHEMBL15617 | 0.83 | ALDH1A1 (1.00) | ALDH1A1THRBTSHRCYP3A4TP53 | |
| SCHEMBL5098181 | 0.83 | ALDH1A1 (1.00) | ALDH1A1THRBTSHRCYP3A4TP53 | |
| SCHEMBL5098171 | 0.83 | ALDH1A1 (1.00) | ALDH1A1THRBTSHRCYP3A4TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045210-A | Synthetic Polymer Modified Polysaccharide, Ion Exchange Resins | CUNO, INCORPORATED (US) | 1991-09-03 | — | — | US | disclosed |
| WO-1990011825-A1 | HEAVY METAL REMOVAL FILTERS | CUNO, INCORPORATED (US) | 1990-10-18 | — | — | WO | disclosed |