Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9505579 | 0.79 | GABRA1 (0.54) | GABRA1GABRB2FEN1ESR1ESR2 | |
| SCHEMBL9089334 | 0.72 | GABRA1 (0.41) | GABRA1GABRB2NPC1MAPTRAB9A | |
| SCHEMBL21950945 | 0.72 | ALDH1A1 (0.35) | NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL45861 | 0.71 | GABRA1 (0.68) | GABRA1GABRB2FEN1ESR1ESR2 | |
| SCHEMBL8536715 | 0.68 | NPC1 (0.33) | NPC1MAPTRAB9A | |
| SCHEMBL9246909 | 0.68 | GAA (0.31) | MAPT | |
| SCHEMBL5878543 | 0.68 | HSD17B3 (0.40) | GABRA1GABRB2ESR1ESR2MAPT | |
| SCHEMBL5878760 | 0.68 | TYR (0.41) | GABRA1GABRB2ESR1ESR2MAPT | |
| SCHEMBL12797849 | 0.66 | POLB (0.41) | GABRA1GABRB2MAPTBACE1 | |
| Methylamine SCHEMBL27907243 | 0.66 | GABRA1 (0.54) | GABRA1GABRB2FEN1ESR1ESR2 |
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-108658908-B | 1,3- bis- replaces ketene compounds and its application | 广州必贝特医药技术有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-108658908-A | 1,3- bis- substitution ketene compounds and its application | 广州必贝特医药技术有限公司 | 2018-10-16 | — | — | CN | disclosed |