Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | KLK1 | P06870 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16881402 | 0.89 | NAMPT (0.45) | NAMPTCYP3A4SCN2ASCN10AKLKB1 | |
| SCHEMBL16880569 | 0.88 | CYP2C9 (0.43) | NAMPTKMT2APOLBGAACYP3A4 | |
| SCHEMBL509278 | 0.82 | CYP2C19 (0.51) | NAMPTKMT2APOLBGAACYP3A4 | |
| SCHEMBL16881041 | 0.75 | NAMPT (0.43) | NAMPTKMT2ACYP3A4ALDH1A1SCN2A | |
| SCHEMBL31098519 | 0.74 | BRD4 (0.50) | NAMPTCYP3A4MAPTAKT1NPC1 | |
| SCHEMBL16881468 | 0.74 | CYP2C9 (0.45) | KMT2APOLBGAACYP3A4CYP2C9 | |
| SCHEMBL29907709 | 0.74 | NAMPT (0.47) | NAMPTCYP3A4AKT1KDM4E | |
| SCHEMBL21730231 | 0.74 | NAMPT (0.47) | NAMPTCYP3A4AKT1KDM4E | |
| SCHEMBL1631864 | 0.74 | ADORA2A (0.48) | NAMPTCYP3A4AKT1ADORA2A | |
| SCHEMBL12663061 | 0.73 | NAMPT (0.44) | NAMPTCYP3A4AKT1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061480-B | Therapeutic inhibitory compounds | 莱福斯希医药公司 | 2020-02-28 | — | — | CN | disclosed |
| EP-3089746-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | Lifesci Pharmaceuticals, Inc. (BB) | 2016-11-09 | — | — | EP | disclosed |
| CN-106061480-A | Therapeutic inhibitory compounds | 莱福斯希医药公司 | 2016-10-26 | — | — | CN | disclosed |
| WO-2015103317-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | LIFESCI PHARMACEUTICALS, INC. (BB) | 2015-07-09 | — | — | WO | disclosed |