Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.39 |
| ▸ | KLK1 | P06870 | 2/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL16881353 | 0.89 | NAMPT (0.42) | NAMPTCYP3A4DYRK1AKLKB1KLK1 | |
| SCHEMBL16881041 | 0.86 | NAMPT (0.43) | NAMPTCYP3A4DYRK1AKLKB1KLK1 | |
| SCHEMBL510089 | 0.80 | DYRK1A (0.51) | NAMPTCYP3A4DYRK1AHDAC1KDM4A | |
| SCHEMBL21730231 | 0.77 | NAMPT (0.47) | NAMPTCYP3A4AKT1KDM4AL3MBTL1 | |
| SCHEMBL29907709 | 0.77 | NAMPT (0.47) | NAMPTCYP3A4AKT1KDM4AL3MBTL1 | |
| SCHEMBL15862073 | 0.76 | NAMPT (0.39) | NAMPTDYRK1AHDAC1KDM4AL3MBTL1 | |
| SCHEMBL12663061 | 0.76 | NAMPT (0.44) | NAMPTCYP3A4AKT1HDAC1KDM4A | |
| SCHEMBL16880569 | 0.75 | CYP2C9 (0.43) | NAMPTCYP3A4DYRK1AKLKB1KLK1 | |
| SCHEMBL16767712 | 0.74 | NAMPT (0.45) | NAMPTCYP3A4AKT1KDM4AL3MBTL1 | |
| SCHEMBL1631864 | 0.74 | ADORA2A (0.48) | NAMPTCYP3A4AKT1KDM4AL3MBTL1 |
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-3089746-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | Lifesci Pharmaceuticals, Inc. (BB) | 2016-11-09 | — | — | EP | disclosed |
| WO-2015103317-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | LIFESCI PHARMACEUTICALS, INC. (BB) | 2015-07-09 | — | — | WO | disclosed |