Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | SELP | P16109 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3323483 | 0.86 | HSD17B10 (0.53) | GAAHSD17B10NPSR1CYP3A4ALDH1A1 | |
| SCHEMBL16068896 | 0.85 | HSD17B10 (0.51) | GAAHSD17B10NPSR1CYP3A4ALDH1A1 | |
| SCHEMBL19180928 | 0.83 | GAA (0.49) | GAACYP3A4ALDH1A1NPC1TSHR | |
| SCHEMBL2729269 | 0.82 | GAA (0.53) | GAAHSD17B10NPSR1CYP3A4ALDH1A1 | |
| SCHEMBL2124489 | 0.81 | HSD17B10 (0.51) | GAAHSD17B10NPSR1CYP3A4ALDH1A1 | |
| SCHEMBL7714917 | 0.81 | GAA (0.54) | GAAHSD17B10CYP3A4ALDH1A1NPC1 | |
| SCHEMBL5373257 | 0.81 | HSD17B10 (0.47) | GAAHSD17B10NPSR1CYP3A4ALDH1A1 | |
| SCHEMBL3918194 | 0.81 | HSD17B10 (0.47) | GAAHSD17B10NPSR1CYP3A4ALDH1A1 | |
| SCHEMBL19175614 | 0.80 | GAA (0.60) | GAAHSD17B10CYP3A4ALDH1A1NPC1 | |
| SCHEMBL3580327 | 0.79 | GAA (0.48) | GAACXCL8CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012058134-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |