Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GALK1 | P51570 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2405782 | 0.90 | ALDH1A1 (0.59) | ESR2ALDH1A1GALK1TP53FPR2 | |
| SCHEMBL2402356 | 0.88 | ESR2 (0.54) | ESR2ALDH1A1TP53THRBFPR2 | |
| SCHEMBL2405313 | 0.86 | ESR2 (0.52) | ESR2ALDH1A1TP53THRBFPR2 | |
| SCHEMBL2405771 | 0.84 | KMT2A (0.53) | ESR2ALDH1A1TP53THRBFPR2 | |
| SCHEMBL2405792 | 0.83 | THRB (0.61) | ESR2ALDH1A1TP53THRBFPR2 | |
| SCHEMBL2404607 | 0.82 | ESR2 (0.53) | ESR2ALDH1A1THRBFPR2RXFP1 | |
| SCHEMBL2404195 | 0.82 | MAPT (0.56) | ESR2ALDH1A1TP53THRBMAPT | |
| SCHEMBL2403847 | 0.81 | ESR2 (0.50) | ESR2ALDH1A1TP53THRBFPR2 | |
| SCHEMBL2405307 | 0.80 | ESR2 (0.52) | ESR2ALDH1A1TP53THRBFPR2 | |
| SCHEMBL2403291 | 0.80 | ALDH1A1 (0.49) | ESR2ALDH1A1TP53MAPTGAA |
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-9381172-B2 | Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2016-07-05 | — | — | US | disclosed |