Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22670274 | 1.00 | TSHR (0.46) | TSHRMAPK1MLYCDPTGS1ALDH1A1 | |
| SCHEMBL25006865 | 0.82 | RIPK1 (0.41) | MLYCDALDH1A1CYP3A4CLK1HSD11B1 | |
| SCHEMBL30222838 | 0.82 | RIPK1 (0.41) | MLYCDALDH1A1CYP3A4CLK1HSD11B1 | |
| SCHEMBL25007307 | 0.81 | PTPN5 (0.48) | — | |
| SCHEMBL30222787 | 0.81 | PTPN5 (0.48) | — | |
| SCHEMBL22165138 | 0.78 | TSHR (0.52) | TSHRMAPK1PTGS1ALDH1A1NPSR1 | |
| SCHEMBL22658398 | 0.78 | TP53 (0.50) | ALDH1A1NPSR1TP53SMN1; SMN2 | |
| SCHEMBL22670292 | 0.74 | RXFP1 (0.52) | ALDH1A1NPSR1TP53SMN1; SMN2 | |
| SCHEMBL15272073 | 0.74 | TSHR (0.59) | TSHRMAPK1PTGS1ALDH1A1CYP3A4 | |
| SCHEMBL30707942 | 0.74 | TSHR (0.59) | TSHRMAPK1PTGS1ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3983386-A1 | ACSS2 INHIBITORS AND METHODS OF USE THEREOF | Metabomed Ltd (IL) | 2022-04-20 | — | — | EP | disclosed |
| CN-114008025-A | ACSS2 inhibitors and methods of use thereof | 美特波米德有限公司 | 2022-02-01 | — | — | CN | disclosed |