Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.35 |
| ▸ | MEF2D | Q14814 | 7/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL3281194 | 0.82 | TP53 (0.48) | TP53TDP1ALDH1A1TSHRFAAH | |
| Hydrochloric Acid SCHEMBL7045845 | 0.81 | TDP1 (0.47) | TP53TDP1FAAHKMT2AMEN1 | |
| SCHEMBL19066607 | 0.79 | TP53 (0.43) | TP53TDP1ALDH1A1TSHRFAAH | |
| SCHEMBL3281226 | 0.79 | TP53 (0.46) | TP53TDP1ALDH1A1TSHRFAAH | |
| SCHEMBL1660464 | 0.79 | TP53 (0.48) | TP53TDP1ALDH1A1TSHRFAAH | |
| SCHEMBL29375309 | 0.79 | TP53 (0.52) | TP53TDP1ALDH1A1TSHRFAAH | |
| SCHEMBL595016 | 0.79 | TP53 (0.52) | TP53TDP1ALDH1A1TSHRFAAH | |
| SCHEMBL595537 | 0.79 | TP53 (0.52) | TP53TDP1ALDH1A1TSHRFAAH | |
| Hydrochloric Acid SCHEMBL2807331 | 0.78 | TP53 (0.44) | TP53TDP1ALDH1A1TSHRFAAH | |
| SCHEMBL1645656 | 0.77 | TP53 (0.50) | TP53TDP1ALDH1A1TSHRFAAH |
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 |
|---|---|---|---|---|---|---|---|
| CN-108024992-A | Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders | 艾其林医药公司 | 2018-05-11 | — | — | CN | disclosed |