Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5711552 | 1.00 | KMT2A (0.41) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL26597906 | 1.00 | KMT2A (0.41) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL20213737 | 0.82 | KMT2A (0.38) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL9435763 | 0.80 | KMT2A (0.37) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL3229012 | 0.78 | NPC1 (0.53) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL14525329 | 0.78 | NPC1 (0.53) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL4929498 | 0.77 | HTT (0.39) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL6642483 | 0.77 | SLC7A5 (0.43) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL5481200 | 0.76 | ALOX5 (0.42) | KMT2ANPC1RAB9AHTR1ASLC6A2 | |
| SCHEMBL6819475 | 0.76 | CES2 (0.38) | KMT2ANPC1RAB9AHTR1ASLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008081476-A2 | PROCESS FOR PREPARING DULOXETINE HYDROCHLORIDE | CADILA HEALTHCARE LIMITED (IN) | 2008-07-10 | — | — | WO | disclosed |
| 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 |