Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13664958 | 0.84 | SMN1; SMN2 (0.64) | KMT2ASMN1; SMN2MAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL6538778 | 0.83 | ALDH1A1 (0.57) | KMT2ASMN1; SMN2MAPK1PTGDR2ALDH1A1 | |
| SCHEMBL2955119 | 0.82 | KMT2A (0.62) | KMT2ASMN1; SMN2PTGDR2L3MBTL1ALDH1A1 | |
| SCHEMBL28031076 | 0.82 | HTT (0.57) | SMN1; SMN2MAPK1PTGDR2L3MBTL1ALDH1A1 | |
| SCHEMBL6539052 | 0.80 | USP2 (0.56) | SMN1; SMN2MAPK1L3MBTL1ALDH1A1HPGD | |
| SCHEMBL8577079 | 0.79 | TDP1 (0.59) | KMT2ASMN1; SMN2MAPK1PTGDR2L3MBTL1 | |
| SCHEMBL6538608 | 0.78 | USP2 (0.44) | SMN1; SMN2MAPK1PTGDR2L3MBTL1ALDH1A1 | |
| SCHEMBL535645 | 0.77 | ALDH1A1 (0.50) | KMT2AL3MBTL1ALDH1A1GAAGLA | |
| SCHEMBL10420902 | 0.77 | PTGDR2 (0.40) | SMN1; SMN2MAPK1PTGDR2ALDH1A1HPGD | |
| SCHEMBL7406459 | 0.76 | SMN1; SMN2 (0.72) | KMT2ASMN1; SMN2MAPK1L3MBTL1ALDH1A1 |
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-2013066734-A1 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 3-AMINO-4-CYCLOBUTYL-2-HYDROXYBUTANAMIDE AND SALTS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2013-05-10 | — | — | WO | disclosed |