Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL20738706 | 0.83 | — | — | |
| SCHEMBL3229012 | 0.78 | NPC1 (0.53) | CES2CES1KEAP1KMT2ANPC1 | |
| SCHEMBL14525329 | 0.78 | NPC1 (0.53) | CES2CES1KEAP1KMT2ANPC1 | |
| SCHEMBL29093718 | 0.77 | GLA (0.39) | CES2CES1KEAP1KMT2ANPC1 | |
| SCHEMBL5711552 | 0.76 | KMT2A (0.41) | CES2CES1KEAP1KMT2ANPC1 | |
| SCHEMBL4640223 | 0.76 | ALOX5 (0.42) | CES2CES1KEAP1KMT2ANPC1 | |
| SCHEMBL4574305 | 0.76 | KMT2A (0.41) | CES2CES1KEAP1KMT2ANPC1 | |
| SCHEMBL26597906 | 0.76 | KMT2A (0.41) | CES2CES1KEAP1KMT2ANPC1 | |
| SCHEMBL5481200 | 0.76 | ALOX5 (0.42) | CES2CES1KEAP1KMT2ANPC1 | |
| SCHEMBL21742820 | 0.76 | SLC6A2 (0.48) | KMT2ASLC6A2SLC6A4SLC6A3HTR1A |
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-2004031168-A2 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OPTICALLY ACTIVE 3-AMINO-1-(2-THIENYL)-1-PROPANOL DERIVATIVES | LONZA AG (CH) | 2004-04-15 | — | — | WO | disclosed |