Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.76 |
| ▸ | RAB9A | P51151 | 12/20 | 0.76 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.76 |
| ▸ | GFER | P55789 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | HPGD | P15428 | 4/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.72 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.72 |
| ▸ | RELA | Q04206 | 3/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | CASP3 | P42574 | 4/20 | 0.71 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.71 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 6/20 | 0.64 |
| ▸ | MEN1 | O00255 | 5/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.64 |
| ▸ | TP53 | P04637 | 4/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL1734841 | 1.00 | NPC1 (0.76) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL23748392 | 0.98 | NPC1 (0.73) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL2247126 | 0.91 | RAB9A (0.71) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL2251048 | 0.91 | RAB9A (0.71) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL2251225 | 0.90 | RAB9A (0.81) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL2244352 | 0.87 | NPC1 (0.76) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL29603993 | 0.86 | RAB9A (0.86) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL5654856 | 0.86 | RAB9A (0.86) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL29404722 | 0.86 | RAB9A (1.00) | NPC1RAB9ARXFP1GFERKDM4E | |
| SCHEMBL1852701 | 0.86 | RAB9A (1.00) | NPC1RAB9ARXFP1GFERKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-116438166-A | N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-114436971-A | Di (4- (benzoxazol-2-yl) phenyl) methylamine derivative and preparation method thereof | 陕西维世诺新材料有限公司 | 2022-05-06 | — | — | CN | disclosed |