Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 5/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL13384396 | 0.81 | CYP3A4 (0.41) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL29987608 | 0.77 | CES1 (0.40) | RAB9AKDM4ENPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL459641 | 0.77 | CES1 (0.40) | RAB9AKDM4ENPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL5119030 | 0.76 | CYP3A4 (0.42) | RAB9AKDM4ENPC1SMN1; SMN2CYP3A4 | |
| SCHEMBL16340167 | 0.75 | NPC1 (0.42) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL7077942 | 0.74 | TDP1 (0.41) | RAB9ANPC1SMN1; SMN2CYP3A4CYP11B2 | |
| SCHEMBL21559837 | 0.74 | NPC1 (0.39) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL4132334 | 0.71 | CYP11B2 (0.56) | RAB9ANPC1SMN1; SMN2CYP3A4CYP11B2 | |
| SCHEMBL6789105 | 0.71 | PTPN1 (0.46) | RAB9AKDM4ENPC1CYP3A4MAPT | |
| SCHEMBL8530142 | 0.71 | AHR (0.41) | RAB9AKDM4ENPC1NFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109651291-A | A kind of polysubstituted naphtho- [1,2-d] thiazole and derivative and its synthetic method | 湘潭大学 | 2019-04-19 | — | — | CN | disclosed |